Exact Mass: 272.0684702

Exact Mass Matches: 272.0684702

Found 500 metabolites which its exact mass value is equals to given mass value 272.0684702, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Naringenin

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-

C15H12O5 (272.0684702)


Naringenin is a flavorless, colorless flavanone, a type of flavonoid. It is the predominant flavanone in grapefruit, and is found in a variety of fruits and herbs. Naringenin has the skeleton structure of a flavanone with three hydroxy groups at the 4, 5, and 7 carbons. It may be found both in the aglycol form, naringenin, or in its glycosidic form, naringin, which has the addition of the disaccharide neohesperidose attached via a glycosidic linkage at carbon 7. Naringenin (not to be confused with naringin) is a flavanone that is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, antiinflammatory, carbohydrate metabolism promoter, immunity system modulater. This substance has also been shown to repair DNA. Scientists exposed cells to 80 micomoles of naringenin per liter, for 24 hours, and found that the amount of hydroxyl damage to the DNA was reduced by 24 percent in that very short period of time. Unfortunately, this bioflavonoid is difficult to absorb on oral ingestion. Only 15\\\\\\\% of ingested naringenin will get absorbed, in the human gastrointestinal tract, in the best case scenario. A full glass of orange juice will supply about enough naringenin to achieve a concentration of about 0.5 micromoles per liter. Naringenin is a biomarker for the consumption of citrus fruits. (S)-naringenin is the (S)-enantiomer of naringenin. It has a role as an expectorant and a plant metabolite. It is a naringenin and a (2S)-flavan-4-one. It is a conjugate acid of a (S)-naringenin(1-). It is an enantiomer of a (R)-naringenin. Naringenin is a natural product found in Elaeodendron croceum, Garcinia multiflora, and other organisms with data available. See also: Naringin (related). Most widely distributed flavanone. Citrus fruits (grapefruit, oranges and pummelos) are especially good sources. Glycosides also widely distributed The (S)-enantiomer of naringenin. [Raw Data] CB070_Naringenin_pos_20eV_CB000030.txt [Raw Data] CB070_Naringenin_pos_10eV_CB000030.txt [Raw Data] CB070_Naringenin_pos_40eV_CB000030.txt [Raw Data] CB070_Naringenin_pos_30eV_CB000030.txt [Raw Data] CB070_Naringenin_pos_50eV_CB000030.txt [Raw Data] CB070_Naringenin_neg_10eV_000021.txt [Raw Data] CB070_Naringenin_neg_30eV_000021.txt [Raw Data] CB070_Naringenin_neg_50eV_000021.txt [Raw Data] CB070_Naringenin_neg_20eV_000021.txt [Raw Data] CB070_Naringenin_neg_40eV_000021.txt (±)-Naringenin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=67604-48-2 (retrieved 2024-07-09) (CAS RN: 67604-48-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity.

   

Chalconaringenin

2-Propen-1-one, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, (2E)-

C15H12O5 (272.0684702)


2,4,4,6-tetrahydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2 ,4, 4, and 6 respectively. It has a role as a metabolite, an anti-allergic agent and an anti-inflammatory agent. It is a polyphenol and a member of chalcones. It is functionally related to a trans-chalcone. Naringenin chalcone is a natural product found in Populus koreana, Populus tremula, and other organisms with data available. Isolated from tomato fruit cuticles. Chalconaringenin is found in many foods, some of which are cherry tomato, lettuce, greenthread tea, and lemon. A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2 ,4, 4, and 6 respectively. Chalconaringenin is found in garden tomato. Chalconaringenin is isolated from tomato fruit cuticle Naringenin chalcone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5071-40-9 (retrieved 2024-07-12) (CAS RN: 25515-46-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Arbutin

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol

C12H16O7 (272.0895986)


Hydroquinone O-beta-D-glucopyranoside is a monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has a role as a plant metabolite and an Escherichia coli metabolite. It is a beta-D-glucoside and a monosaccharide derivative. It is functionally related to a hydroquinone. Extracted from the dried leaves of bearberry plant in the genus Arctostaphylos and other plants commonly in the Ericaceae family, arbutin is a beta-D-glucopyranoside of [DB09526]. It is found in foods, over-the-counter drugs, and herbal dietary supplements. Most commonly, it is an active ingredient in skincare and cosmetic products as a skin-lightening agent for the prevention of melanin formation in various skin conditions that involve cutaneous hyperpigmentation or hyperactive melanocyte function. It has also been used as an anti-infective for the urinary system as well as a diuretic. Arbutin is available in both natural and synthetic forms; it can be synthesized from acetobromglucose and [DB09526]. Arbutin is a competitive inhibitor of tyrosinase (E.C.1.14.18.1) in melanocytes, and the inhibition of melanin synthesis at non-toxic concentrations was observed in vitro. Arbutin was shown to be less cytotoxic to melanocytes in culture compared to [DB09526]. Arbutin is a natural product found in Grevillea robusta, Halocarpus biformis, and other organisms with data available. See also: Arctostaphylos uva-ursi leaf (part of); Arbutin; octinoxate (component of); Adenosine; arbutin (component of) ... View More ... Arbutin, also known as hydroquinone-O-beta-D-glucopyranoside or P-hydroxyphenyl beta-D-glucopyranoside, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Arbutin is soluble (in water) and a very weakly acidic compound (based on its pKa). Arbutin can be found in a number of food items such as guava, lingonberry, irish moss, and rowal, which makes arbutin a potential biomarker for the consumption of these food products. Arbutin is a glycoside; a glycosylated hydroquinone extracted from the bearberry plant in the genus Arctostaphylos among many other medicinal plants, primarily in the Ericaceae family. Applied topically, it inhibits tyrosinase and thus prevents the formation of melanin. Arbutin is therefore used as a skin-lightening agent. Very tiny amounts of arbutin are found in wheat, pear skins, and some other foods. It is also found in Bergenia crassifolia. Arbutin was also produced by an in vitro culture of Schisandra chinensis . A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. Arbutin is found in apple. Glucoside in pear leaves (Pyrus communis C471 - Enzyme Inhibitor CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6126; ORIGINAL_PRECURSOR_SCAN_NO 6123 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6107; ORIGINAL_PRECURSOR_SCAN_NO 6104 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 811; ORIGINAL_PRECURSOR_SCAN_NO 808 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 806; ORIGINAL_PRECURSOR_SCAN_NO 804 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 813; ORIGINAL_PRECURSOR_SCAN_NO 811 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 832; ORIGINAL_PRECURSOR_SCAN_NO 828 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 817; ORIGINAL_PRECURSOR_SCAN_NO 816 Arbutin (β-Arbutin) is a competitive inhibitor of tyrosinase, with Kiapp values of 1.42 mM for monophenolase; 0.9 mM for diphenolase. Arbutin is also used as depigmenting agents[1]. Arbutin is a natural polyphenol isolated from the bearberry plant Arctostaphylos uvaursi, possesses with anti-oxidant, anti-inflammatory and anti-tumor properties[2][3]. Arbutin (β-Arbutin) is a competitive inhibitor of tyrosinase, with Kiapp values of 1.42 mM for monophenolase; 0.9 mM for diphenolase. Arbutin is also used as depigmenting agents[1]. Arbutin is a natural polyphenol isolated from the bearberry plant Arctostaphylos uvaursi, possesses with anti-oxidant, anti-inflammatory and anti-tumor properties[2][3].

   

Butein

2 inverted exclamation mark ,3,4,4 inverted exclamation mark -tetrahydroxy Chalcone

C15H12O5 (272.0684702)


Butein is a chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2, 3, 4 and 4. It has a role as a tyrosine kinase inhibitor, an antioxidant, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an antineoplastic agent, a geroprotector, a radiosensitizing agent, a hypoglycemic agent and a plant metabolite. It is a member of chalcones and a polyphenol. Butein is a natural product found in Dahlia pinnata, Calanticaria bicolor, and other organisms with data available. Butein is a flavonoid obtained from the seed of Cyclopia subternata. It is a specific protein tyrosine kinase inhibitor that induces apoptosis. (NCI) See also: Semecarpus anacardium juice (part of). A chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2, 3, 4 and 4. C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor Butein, also known as 2,3,4,4-tetrahydroxychalcone, is a member of the class of compounds known as 2-hydroxychalcones. 2-hydroxychalcones are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2-position. Thus, butein is considered to be a flavonoid lipid molecule. Butein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Butein is a bitter tasting compound found in broad bean, which makes butein a potential biomarker for the consumption of this food product. Butein is a chalcone of the chalconoids. It can be found in Toxicodendron vernicifluum (or formerly Rhus verniciflua), Dahlia, Butea (Butea monosperma) and Coreopsis It has antioxidative, aldose reductase and advanced glycation endproducts inhibitory effects. It is also a sirtuin-activating compound, a chemical compound having an effect on sirtuins, a group of enzymes that use NAD+ to remove acetyl groups from proteins. It turned out that buteins possess a high ability to inhibit aromatase process in the human body, for this reason, the use of these compounds in the treatment of breast cancer on the estrogen ground has been taken into account. The first attempts of sport pro-hormone supplementation with the use of buteins took place in Poland . Butein is a cAMP-specific PDE inhibitor with an IC50 of 10.4 μM for PDE4[1]. Butein is a specific protein tyrosine kinase inhibitor with IC50s of 16 and 65 μM for EGFR and p60c-src in HepG2 cells[2]. Butein sensitizes HeLa cells to Cisplatin through AKT and ERK/p38 MAPK pathways by targeting FoxO3a[3]. Butein is a SIRT1 activator (STAC). Butein is a cAMP-specific PDE inhibitor with an IC50 of 10.4 μM for PDE4[1]. Butein is a specific protein tyrosine kinase inhibitor with IC50s of 16 and 65 μM for EGFR and p60c-src in HepG2 cells[2]. Butein sensitizes HeLa cells to Cisplatin through AKT and ERK/p38 MAPK pathways by targeting FoxO3a[3]. Butein is a SIRT1 activator (STAC).

   

Pinobanksin

4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-PHENYL-, (2R,3R)-

C15H12O5 (272.0684702)


Pinobanksin is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. It has a role as an antimutagen, an antioxidant and a metabolite. It is a trihydroxyflavanone and a secondary alpha-hydroxy ketone. Pinobanksin is a natural product found in Populus koreana, Ozothamnus stirlingii, and other organisms with data available. Pinobanksin has apoptotic induction in a B-cell lymphoma cell line[1].

   

Garbanzol

4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-

C15H12O5 (272.0684702)


Garbanzol is a member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4. It has a role as an antimutagen and a metabolite. It is a trihydroxyflavanone, a member of dihydroflavonols, a secondary alpha-hydroxy ketone and a member of 4-hydroxyflavanones. Garbanzol is a natural product found in Pterocarpus marsupium, Brucea javanica, and other organisms with data available. See also: Pterocarpus marsupium wood (part of). A member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4. Garbanzol is found in Cicer arietinum (chickpea) and Capsella bursa-pastoris (shepherds purse).

   

Butin_(molecule)

4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S)-

C15H12O5 (272.0684702)


Butin is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 4 and 7. It is found in Acacia mearnsii, Vernonia anthelmintica and Dalbergia odorifera and has a protective affect against oxidative stress-induced mitochondrial dysfunction. It has a role as an antioxidant, a protective agent and a metabolite. It is a trihydroxyflavanone and a member of 4-hydroxyflavanones. Butin is a natural product found in Dipteryx lacunifera, Acacia vestita, and other organisms with data available. A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 4 and 7. It is found in Acacia mearnsii, Vernonia anthelmintica and Dalbergia odorifera and has a protective affect against oxidative stress-induced mitochondrial dysfunction. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities. Butin significantly alleviates myocardial infarction and improves heart function, together with prevents diabetes-induced cardiac oxidative damage in rat[1][2]. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities. Butin significantly alleviates myocardial infarction and improves heart function, together with prevents diabetes-induced cardiac oxidative damage in rat[1][2].

   

Toralactone

9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one, 9CI

C15H12O5 (272.0684702)


Toralactone is an organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively. It has a role as a plant metabolite. It is an organic heterotricyclic compound, a lactone, a member of phenols, an aromatic ether, a polyketide and a naphtho-alpha-pyrone. It is functionally related to a nor-toralactone. Toralactone is a natural product found in Senna obtusifolia and Senna tora with data available. An organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively. Isolated from seeds of Cassia tora (charota). Toralactone is found in coffee and coffee products, herbs and spices, and pulses. Toralactone is found in coffee and coffee products. Toralactone is isolated from seeds of Cassia tora (charota). Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1]. Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1].

   

7-ACA

3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C10H12N2O5S (272.0466902)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

Rubrofusarin

InChI=1\C15H12O5\c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18\h3-6,17-18H,1-2H

C15H12O5 (272.0684702)


A member of the class of benzochromenones that is benzo[g]chromen-4-one carrying two additional hydroxy substituents at positions 5 and 6 as well as methyl and methoxy substituents at positions 2 and 8 respectively. An orange polyketide pigment that is a common intermediate in many different fungal biosynthetic pathways. CONFIDENCE Culture of Fusarium graminearum from DAOM

   

Glycinol

8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triol

C15H12O5 (272.0684702)


Constituent of soybean seedlings (Glycine max) and kudzu (Pueraria thunbergiana). Glycinol is found in many foods, some of which are scarlet bean, soy bean, gram bean, and pulses. Glycinol is found in gram bean. Glycinol is a constituent of soybean seedlings (Glycine max) and kudzu (Pueraria thunbergiana).

   

Licodione

1- (2,4-Dihydroxyphenyl) -3- (4-hydroxyphenyl) -1,3-propanedione

C15H12O5 (272.0684702)


   

(±)-2'-Hydroxydihydrodaidzein

3-(2,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


(±)-2-hydroxydihydrodaidzein, also known as 2,4,7-trihydroxyisoflavanone, is a member of the class of compounds known as isoflavanones. Isoflavanones are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Thus, (±)-2-hydroxydihydrodaidzein is considered to be a flavonoid lipid molecule (±)-2-hydroxydihydrodaidzein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (±)-2-hydroxydihydrodaidzein can be found in green bean, pulses, and yellow wax bean, which makes (±)-2-hydroxydihydrodaidzein a potential biomarker for the consumption of these food products. (±)-2-Hydroxydihydrodaidzein is found in pulses. (±)-2-Hydroxydihydrodaidzein is isolated from pods of Phaseolus vulgaris (kidney bean) and also from Phaseolus coccineus (scarlet runner bean).

   

Thienamycin

Epithienamycin

C11H16N2O4S (272.0830736)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

p-coumaroyltriacetic acid lactone

p-coumaroyltriacetic acid lactone

C15H12O5 (272.0684702)


   

Dihydrogenistein

2,3-Dihydro-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

C15H12O5 (272.0684702)


Dihydrogenistein is a metabolite of the soy isoflavone genistin (the glycoside conjugate of genistein) by intestinal bacteria. Isoflavones are one of the three major classes of phytoestrogens; phytoestrogens are a diverse group of plant-derived compounds that structurally and functionally mimic mammalian estrogen. The isoflavone genistin is one of the most prevalent in soy foods. They are biologically inactive; once ingested, they are cleaved by glucosidases to "aglycones", genistein. Epidemiological studies have associated high soy intake with a lowered risk for certain hormone-dependent disease. Many studies reveal that the incidence of prostate cancer and breast cancer is much lower in Asian people in comparison to people from the West and, and the prevailing contribution to this difference has been attributed to the diet. Soy foods and soy-derived products which contain abundant isoflavones are consumed in large quantities by Asian people. In vitro, isoflavone metabolites have dual functions: they can act as an estrogenic agonist or antagonist depending on the estrogen concentration. (PMID: 17499260, 16965913) [HMDB]. Dihydrogenistein is a biomarker for the consumption of soy beans and other soy products. Dihydrogenistein is a metabolite of the soy isoflavone genistin (the glycoside conjugate of genistein) by intestinal bacteria. Isoflavones are one of the three major classes of phytoestrogens; phytoestrogens are a diverse group of plant-derived compounds that structurally and functionally mimic mammalian estrogen. The isoflavone genistin is one of the most prevalent in soy foods. They are biologically inactive; once ingested, they are cleaved by glucosidases to "aglycones", genistein. Epidemiological studies have associated high soy intake with a lowered risk for certain hormone-dependent disease. Many studies reveal that the incidence of prostate cancer and breast cancer is much lower in Asian people in comparison to people from the West and, and the prevailing contribution to this difference has been attributed to the diet. Soy foods and soy-derived products which contain abundant isoflavones are consumed in large quantities by Asian people. In vitro, isoflavone metabolites have dual functions: they can act as an estrogenic agonist or antagonist depending on the estrogen concentration. (PMID: 17499260, 16965913). Dihydrogenistein is a biomarker for the consumption of soy beans and other soy products.

   

4,4-Dinitrodibenzyl

1-nitro-4-[2-(4-nitrophenyl)ethyl]benzene

C14H12N2O4 (272.0797032)


   

3-(Phenylsulfonyl)acrylophenone

1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one; 3-(Phenylsulfonyl)acrylophenone

C15H12O3S (272.0507122)


A sulfone that is 1-phenyl-2-propenone with a phenylsulfonyl group at position 3.

   

2,7,4'-trihydroxyisoflavanone

2,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


2,7,4-trihydroxyisoflavanone is a member of the class of compounds known as isoflavanols. Isoflavanols are polycyclic compounds containing a hydroxylated isoflavan skeleton. 2,7,4-trihydroxyisoflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,7,4-trihydroxyisoflavanone can be found in a number of food items such as common mushroom, loganberry, sesbania flower, and allium (onion), which makes 2,7,4-trihydroxyisoflavanone a potential biomarker for the consumption of these food products.

   

6,7,4-Trihydroxyflavanone

6,7,4-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

5-Chrysenecarboxylate

5-Chrysenecarboxylic acid

C19H12O2 (272.0837252)


   

4-Chrysenecarboxylate

4-Chrysenecarboxylate

C19H12O2 (272.0837252)


   

(1R,10aS)-1,4,10,10a-Tetrahydrophenazine-1,6-dicarboxylate

(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid

C14H12N2O4 (272.0797032)


   

Alpha-Naphthoflavone

METHYL3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-THIOPHENECARBOXYLATE

C19H12O2 (272.0837252)


Alpha-naphthoflavone is an extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14). It has a role as an EC 1.14.14.14 (aromatase) inhibitor, an aryl hydrocarbon receptor antagonist and an aryl hydrocarbon receptor agonist. It is an organic heterotricyclic compound, an extended flavonoid and a naphtho-gamma-pyrone. alpha-Naphthoflavone is a natural product found in Rhaponticum repens with data available. D004791 - Enzyme Inhibitors > D001571 - Benzoflavones Alpha-Naphthoflavone is a flavonoid, acts as a potent and competitive aromatase inhibitor with an IC50 and a Ki of 0.5 and 0.2 μM, respectively[1].

   

Naringenin

5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


Naringenin is a trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4. It is a trihydroxyflavanone and a member of 4-hydroxyflavanones. 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one is a natural product found in Prunus mume, Helichrysum cephaloideum, and other organisms with data available. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity.

   

Dihydrobaicalein

Dihydrobaicalein

C15H12O5 (272.0684702)


Dihydrobaicalein is a PLK1 Inhibitor with an IC50 of 6.3 μM. Dihydrobaicalein also inhibits VRK2 and PLK2. Dihydrobaicalein is a natural product that can be isolated from Scutellaria scandens[1]. Dihydrobaicalein is a PLK1 Inhibitor with an IC50 of 6.3 μM. Dihydrobaicalein also inhibits VRK2 and PLK2. Dihydrobaicalein is a natural product that can be isolated from Scutellaria scandens[1].

   
   

2,3,4,6-Tetrahydroxychalcone

2,3,4,6-Tetrahydroxychalcone

C15H12O5 (272.0684702)


   

Anigorufone

2-Hydroxy-9-phenyl-1H-phenalen-1-one

C19H12O2 (272.0837252)


Anigorufone is found in fruits. Anigorufone is a pigment from Musa acuminata (dwarf banana). Pigment from Musa acuminata (dwarf banana). Anigorufone is found in fruits.

   

Moracin J

5-(5-hydroxy-6-methoxy-1-benzofuran-2-yl)benzene-1,3-diol

C15H12O5 (272.0684702)


Moracin J is found in fruits. Moracin J is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin J is found in fruits.

   

5,7,3-Trihydroxyflavanone

5,7,3-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

1-Hydroxy-3,7-dimethoxyxanthone

3,7-Dimethoxy-1-hydroxy-9H-xanthene-9-one

C15H12O5 (272.0684702)


1-Hydroxy-3,7-dimethoxyxanthone is found in alcoholic beverages. 1-Hydroxy-3,7-dimethoxyxanthone is isolated from Gentiana lutea (yellow gentian

   

4',5,8-Trihydroxyflavanone

5,8-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


4,5,8-Trihydroxyflavanone is found in green vegetables. 4,5,8-Trihydroxyflavanone is a constituent of Spinacia oleracea (spinach) Constituent of Spinacia oleracea (spinach). 4,5,8-Trihydroxyflavanone is found in green vegetables and spinach.

   

Fukiic acid

(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybutanedioic acid

C11H12O8 (272.0532152)


Fukiic acid is found in green vegetables. Fukiic acid is a hydrolysis produced from Petasites japonicus (sweet coltsfoot

   

3,4,9-Trihydroxypterocarpan

8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,6,14-triol

C15H12O5 (272.0684702)


3,4,9-Trihydroxypterocarpan is found in alfalfa. 3,4,9-Trihydroxypterocarpan is isolated from fungus-infected leaves of Melilotus alba (white melilot). Isolated from fungus-infected leaves of Melilotus alba (white melilot). 3,4,9-Trihydroxypterocarpan is found in alfalfa, herbs and spices, and pulses.

   

Dihydronorwogonin

Dihydronorwogonin

C15H12O5 (272.0684702)


   

3'-Hydroxydihydrodaidzein

3-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


3-Hydroxydihydrodaidzein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

6-Hydroxydihydrodaidzein

6,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


6-Hydroxydihydrodaidzein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

8-Hydroxydihydrodaidzein

7,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


8-Hydroxydihydrodaidzein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

5-Carboxy-2'-deoxyuridine

4-hydroxy-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid

C10H12N2O7 (272.0644482)


5-Carboxy-2-deoxyuridine is a metabolite of trifluridine. Trifluridine (also called trifluorothymidine or TFT) is an anti-herpesvirus antiviral drug, used primarily on the eye. It was sold under the trade name, Viroptic, by Glaxo Wellcome, now merged into GlaxoSmithKline. The brand is now owned by Monarch Pharmaceuticals, which is wholly owned by King Pharmaceuticals. (Wikipedia)

   

Pyridine N-oxide glucuronide

1-{[(2R,3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}pyridin-1-ium

C11H14NO7+ (272.07702340000003)


Pyridine N-oxide glucuronide is a metabolite of sorafenib. Sorafenib (co-developed and co-marketed by Bayer and Onyx Pharmaceuticals as Nexavar), is a drug approved for the treatment of primary kidney cancer and advanced primary liver cancer. (Wikipedia)

   

(+)-1-(9-Fluorenyl)ethyl chloroformate

(+)-(3S,4S)-1-BENZYL-3-PYRROLIDINYLMETHYL1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE

C16H13ClO2 (272.0604028)


   

(2R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

C15H12O5 (272.0684702)


Isolated from Camellia sinensis (tea). Naringenin fructoside is found in tea.

   

5-S-Cysteinyldopamine

2-amino-3-{[5-(2-aminoethyl)-2,3-dihydroxyphenyl]sulfanyl}propanoic acid

C11H16N2O4S (272.0830736)


   

7-Aminocephalosporanic acid

3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C10H12N2O5S (272.0466902)


   

alpha-Naphthoflavone

2-Phenyl-4H-naphtho(1,2-b)pyran-4-one

C19H12O2 (272.0837252)


   

beta-naphthoflavone

3-Phenyl-1H-naphtho(2,1-b)pyran-1-one

C19H12O2 (272.0837252)


C1892 - Chemopreventive Agent > C54629 - Phase I Enzymes Inhibitor C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D004791 - Enzyme Inhibitors > D001571 - Benzoflavones

   

Butin

2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


   

Dendrodoine

5-(1H-indole-3-carbonyl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine

C13H12N4OS (272.0731782)


   

Nimustine

2-chloro-N-{[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-C-hydroxycarbonimidoyl}-N-nitrosoethan-1-amine

C9H13ClN6O2 (272.0788468)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents

   

Protosappanin A

5,14,15-trihydroxy-8-oxatricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,12,14-hexaen-10-one

C15H12O5 (272.0684702)


   

Pyrinuron

N-(4-nitrophenyl)-N-[(pyridin-3-yl)methyl]carbamimidic acid

C13H12N4O3 (272.0909362)


   

(Z)-5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one

5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one

C15H13ClN2O (272.0716358)


   

Thienamycin

3-[(2-Aminoethyl)sulphanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C11H16N2O4S (272.0830736)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

TUCARESOL

4-[(2-formyl-3-hydroxyphenoxy)methyl]benzoic acid

C15H12O5 (272.0684702)


C78275 - Agent Affecting Blood or Body Fluid

   

Dibenzo(b,f)thiepin-3-methanol, 5,5-dioxide

14-(hydroxymethyl)-2lambda6-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene-2,2-dione

C15H12O3S (272.0507122)


   

3,4',7-Trihydroxyflavanone

3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


(2r,3r)-3,4,7-trihydroxyflavanone is a member of the class of compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively (2r,3r)-3,4,7-trihydroxyflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-3,4,7-trihydroxyflavanone can be found in chickpea, common bean, and lima bean, which makes (2r,3r)-3,4,7-trihydroxyflavanone a potential biomarker for the consumption of these food products.

   

Alternariol monomethyl ether

3,4-Dihydroxy-5-methoxy-6-methyldibenzo[a]pyrone

C15H12O5 (272.0684702)


   

6-Methoxymicrominutinin

6-Methoxymicrominutinin

C15H12O5 (272.0684702)


   
   

5,6-Dehydromethysticin

5,6-Dehydromethysticin

C15H12O5 (272.0684702)


   
   

5,7,2-Trihydroxyflavanone

(2S)-5,7,2-Trihydroxyflavanone

C15H12O5 (272.0684702)


   
   
   
   

5-Hydroxy-1,3-dimethoxyxanthone

5-Hydroxy-1,3-dimethoxyxanthone

C15H12O5 (272.0684702)


   

4-Dehydroxyirenolone

4-Dehydroxyirenolone

C19H12O2 (272.0837252)


   

5,7-Dihydroxydehydroiso-alpha-lapachone

5,7-Dihydroxydehydroiso-alpha-lapachone

C15H12O5 (272.0684702)


   
   

4-Hydroxy-1,2-dimethoxy-xanthone

4-Hydroxy-1,2-dimethoxy-xanthone

C15H12O5 (272.0684702)


   

Pyrocatechol monoglucoside

Pyrocatechol monoglucoside

C12H16O7 (272.0895986)


   

Griseoxanthone C

Xanthen-9-one, 1,6-dihydroxy-3-methoxy-8-methyl-

C15H12O5 (272.0684702)


   

4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester

4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester

C12H16O7 (272.0895986)


   

4-Methoxyphenanthrene-2,3,6,7-tetrol

4-Methoxyphenanthrene-2,3,6,7-tetrol

C15H12O5 (272.0684702)


   

1-Hydroxy-7-hydroxymethyl-6-methoxyxanthone

1-Hydroxy-7-hydroxymethyl-6-methoxyxanthone

C15H12O5 (272.0684702)


   
   

8-Hydroxy-6-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4,9-dione

8-Hydroxy-6-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4,9-dione

C15H12O5 (272.0684702)


   
   

1,8-Dimethoxy-2-hydroxyxanthone

1,8-Dimethoxy-2-hydroxyxanthone

C15H12O5 (272.0684702)


   

7,8,4-Trihydroxyflavanone

7,8,4-Trihydroxyflavanone

C15H12O5 (272.0684702)


   
   

2,4-Dimethoxy-3-hydroxyxanthone

2,4-Dimethoxy-3-hydroxyxanthone

C15H12O5 (272.0684702)


   
   

2-hydroxy-1,7-dimethoxyxanthone

2-hydroxy-1,7-dimethoxyxanthone

C15H12O5 (272.0684702)


   

4-hydroxy-2,3-dimethoxyxanthone

4-hydroxy-2,3-dimethoxyxanthone

C15H12O5 (272.0684702)


   
   
   

3-Hydroxy-1,5-dimethoxyxanthone

3-Hydroxy-1,5-dimethoxyxanthone

C15H12O5 (272.0684702)


   

2beta-5,7-Trihydroxyflavanone

2-beta-5,7-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

2,4,2,4-Tetrahydroxychalcone

2,4,2,4-Tetrahydroxychalcone

C15H12O5 (272.0684702)


   

4,2,3,4-Tetrahydroxychalcone

4,2,3,4-Tetrahydroxychalcone

C15H12O5 (272.0684702)


   

2-(1-hydroxyethyl)-6-methoxynaphtho[2,3-b]furan-4,9-dione

2-(1-hydroxyethyl)-6-methoxynaphtho[2,3-b]furan-4,9-dione

C15H12O5 (272.0684702)


   

Butin

(S) -2- (3,4-Dihydroxyphenyl) -2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one

C15H12O5 (272.0684702)


Butin, also known as (-)-butin or 7,3,4-trihydroxyflavanone, is a member of the class of compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. Thus, butin is considered to be a flavonoid lipid molecule. Butin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Butin can be found in mango, which makes butin a potential biomarker for the consumption of this food product. Butin may refer to: Butin is the mountain located in Pendro Butin (molecule), a flavanone Aleksandr Butin (born 1985), Russian professional football player Origny-le-Butin, a commune in the Orne department in northwestern France Butin, a village in Gătaia town, Timiş County, Romania . (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2].

   

(±)-Naringenin

4,5,7-trihydroxyflavanone

C15H12O5 (272.0684702)


(±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1].

   

7,3,5-Trihydroxyflavanone

7,3 inverted exclamation marka,5 inverted exclamation marka-Trihydroxyflavanone

C15H12O5 (272.0684702)


7,3,5-Trihydroxyflavanone is a natural product found in Glycyrrhiza inflata with data available.

   
   

Naringenin chalcone

4,2,4,6-TETRAHYDROXYCHALCONE

C15H12O5 (272.0684702)


Naringenin chalcone is an intermediate in flavonol biosynthesis and is spontaneously metabolized into naringenin (NAR) by chalcone isomerase. Naringenin chalcone has anti-inflammatory and antiallergic activities[1]. Naringenin chalcone is an intermediate in flavonol biosynthesis and is spontaneously metabolized into naringenin (NAR) by chalcone isomerase. Naringenin chalcone has anti-inflammatory and antiallergic activities[1].

   
   

Pinobanksin

(2R) -2,3-Dihydro-3beta,5,7-trihydroxy-2alpha-phenyl-4H-1-benzopyran-4-one

C15H12O5 (272.0684702)


Pinobanksin is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. It has a role as an antimutagen, an antioxidant and a metabolite. It is a trihydroxyflavanone and a secondary alpha-hydroxy ketone. Pinobanksin is a natural product found in Populus koreana, Ozothamnus stirlingii, and other organisms with data available. A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. Pinobanksin has apoptotic induction in a B-cell lymphoma cell line[1].

   

Pseudosindorin

3,5,2,4-Tetrahydroxychalcone

C15H12O5 (272.0684702)


   

Isosalipurpol

(2E) -3- (4-hydroxyphenyl) -1- (2,4,6-trihydroxyphenyl) -2-Propen-1-one

C15H12O5 (272.0684702)


   

Garbanzol

(2R,3R) -2,3-Dihydro-3,7-dihydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C15H12O5 (272.0684702)


(2r,3r)-3,4,7-trihydroxyflavanone is a member of the class of compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively (2r,3r)-3,4,7-trihydroxyflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-3,4,7-trihydroxyflavanone can be found in chickpea, common bean, and lima bean, which makes (2r,3r)-3,4,7-trihydroxyflavanone a potential biomarker for the consumption of these food products.

   

4-Hydroxydemethylmedicarpin

4-Hydroxydemethylmedicarpin

C15H12O5 (272.0684702)


   

2-Hydroxydihydrodaidzein

2-Hydroxy-2,3-dihydrodaidzein

C15H12O5 (272.0684702)


A hydroxyisoflavanone that is 2,3-dihydrodaidzein with an additonal hydroxy substituent at position 2.

   

Naringenin

(2S) -2,3-Dihydro-5,7-dihydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C15H12O5 (272.0684702)


Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.904 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.906 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.901 CONFIDENCE standard compound; ML_ID 50 (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity.

   

5,7,3-Trihydroxyflavanone

5,7,3-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

Dihydronorwogonin

5,7,8-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

vacor

Pyrinuron

C13H12N4O3 (272.0909362)


CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2903; ORIGINAL_PRECURSOR_SCAN_NO 2901 D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2906; ORIGINAL_PRECURSOR_SCAN_NO 2903 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2879; ORIGINAL_PRECURSOR_SCAN_NO 2877 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2868; ORIGINAL_PRECURSOR_SCAN_NO 2865 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2904; ORIGINAL_PRECURSOR_SCAN_NO 2902 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2903; ORIGINAL_PRECURSOR_SCAN_NO 2900 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6117; ORIGINAL_PRECURSOR_SCAN_NO 6115 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6123; ORIGINAL_PRECURSOR_SCAN_NO 6122 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6137; ORIGINAL_PRECURSOR_SCAN_NO 6134 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6149; ORIGINAL_PRECURSOR_SCAN_NO 6147 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6171; ORIGINAL_PRECURSOR_SCAN_NO 6170 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6154; ORIGINAL_PRECURSOR_SCAN_NO 6152

   

methyl 5-chloro-2-(2-ethoxy-2-oxoethoxy)benzoate

methyl 5-chloro-2-(2-ethoxy-2-oxoethoxy)benzoate

C12H13ClO5 (272.0451478)


   
   

Methyl 5-(2,2-dicyanovinyl)-2,4-dimethoxybenzoate

Methyl 5-(2,2-dicyanovinyl)-2,4-dimethoxybenzoate

C14H12N2O4 (272.0797032)


   

1-(4-Chlorobenzyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

1-(4-Chlorobenzyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

C15H13ClN2O (272.0716358)


   

3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one

3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one

C15H12O5 (272.0684702)


[Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_50eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_40eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_30eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_20eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_10eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_50eV_CB000057.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_40eV_CB000057.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_30eV_CB000057.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_20eV_CB000057.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_10eV_CB000057.txt

   

α-Naphthoflavone

alpha-Naphthoflavone

C19H12O2 (272.0837252)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.407 D004791 - Enzyme Inhibitors > D001571 - Benzoflavones relative retention time with respect to 9-anthracene Carboxylic Acid is 1.410 Alpha-Naphthoflavone is a flavonoid, acts as a potent and competitive aromatase inhibitor with an IC50 and a Ki of 0.5 and 0.2 μM, respectively[1].

   
   

Calcium levulinate anhydrous

Calcium levulinate anhydrous

C10H16CaO6+2 (272.0572746)


   

phenoxy radical VIII

phenoxy radical VIII

C15H12O5 (272.0684702)


   
   
   

1-acetoxy-4-(5-penta-1,3-diynyl-thiophen-2-yl)-but-3-yn-2-ol|2-Hydroxy,1-Ac-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol

1-acetoxy-4-(5-penta-1,3-diynyl-thiophen-2-yl)-but-3-yn-2-ol|2-Hydroxy,1-Ac-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol

C15H12O3S (272.0507122)


   
   
   
   
   
   
   

Anhydro-5-deoxyfusarubin

Anhydro-5-deoxyfusarubin

C15H12O5 (272.0684702)


   

2,3,4,4-tetrahydroxychalcone

2,3,4,4-tetrahydroxychalcone

C15H12O5 (272.0684702)


   

2-(1-Hydroxyethyl)-8-methoxynaphtho[2,3-b]furan-4,9-dione

2-(1-Hydroxyethyl)-8-methoxynaphtho[2,3-b]furan-4,9-dione

C15H12O5 (272.0684702)


   

Methylnorlichexanthone

Methylnorlichexanthone

C15H12O5 (272.0684702)


   

Protosappanin A

Protosappanin A

C15H12O5 (272.0684702)


Protosappanin A (PTA), an immunosuppressive ingredient and major biphenyl compound isolated from Caesalpinia sappan L, suppresses JAK2/STAT3-dependent inflammation pathway through down-regulating the phosphorylation of JAK2 and STAT3[1]. Protosappanin A (PTA), an immunosuppressive ingredient and major biphenyl compound isolated from Caesalpinia sappan L, suppresses JAK2/STAT3-dependent inflammation pathway through down-regulating the phosphorylation of JAK2 and STAT3[1].

   
   
   

5-Hydroxy-1,2-dimethoxyxanthone

5-Hydroxy-1,2-dimethoxyxanthone

C15H12O5 (272.0684702)


   

Hypostrepsilic acid

Hypostrepsilic acid

C15H12O5 (272.0684702)


   
   

4-Hydroxyhydrangenol

4-Hydroxyhydrangenol

C15H12O5 (272.0684702)


   

1,8-Dihydroxy-5-methoxy-3-methylxanthone

1,8-Dihydroxy-5-methoxy-3-methylxanthone

C15H12O5 (272.0684702)


   
   

5-hydroxy-2-hydroxyisopropylnaphtho<2,3-b>furan-4,9-quinone

5-hydroxy-2-hydroxyisopropylnaphtho<2,3-b>furan-4,9-quinone

C15H12O5 (272.0684702)


   
   
   

(+/-)-hydromacrophyllol A|hydramacrophyllol B

(+/-)-hydromacrophyllol A|hydramacrophyllol B

C15H12O5 (272.0684702)


   

Phenyl-1-thio-.alpha.-d-glucofuranoside

Phenyl-1-thio-.alpha.-d-glucofuranoside

C12H16O5S (272.07184060000003)


   
   

Di-Ac-3,4-Dihydroxy-2,3-bipyridine

Di-Ac-3,4-Dihydroxy-2,3-bipyridine

C14H12N2O4 (272.0797032)


   

1H-Naphtho(2,3-c)pyran-1-one, 3,4-dihydro-9,10-dihydroxy-7-methoxy-3-methylene-

1H-Naphtho(2,3-c)pyran-1-one, 3,4-dihydro-9,10-dihydroxy-7-methoxy-3-methylene-

C15H12O5 (272.0684702)


   

2-(beta-D-glucopyranosyl)-1,3-dihydroxybenzene|C-beta-D-glucopyranosyl-2,6-dihydroxybenzene|C-??-D-Glucopyranosyl-2,6-dihydroxyl benzene

2-(beta-D-glucopyranosyl)-1,3-dihydroxybenzene|C-beta-D-glucopyranosyl-2,6-dihydroxybenzene|C-??-D-Glucopyranosyl-2,6-dihydroxyl benzene

C12H16O7 (272.0895986)


   

1,6-dihydroxy-5,7-dimethoxy-9H-fluoren-9-one|dengibsinin

1,6-dihydroxy-5,7-dimethoxy-9H-fluoren-9-one|dengibsinin

C15H12O5 (272.0684702)


   
   
   
   

1,8-dihydroxy-3-methoxy-6-methylxanthone

1,8-dihydroxy-3-methoxy-6-methylxanthone

C15H12O5 (272.0684702)


A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 8, a methoxy group at position 3 and a methyl group at position 6. It has been isolated from Microdiplodia species.

   
   

1-Hydroxy-2,3-dimethoxy-9H-xanthen-9-one

1-Hydroxy-2,3-dimethoxy-9H-xanthen-9-one

C15H12O5 (272.0684702)


   

3-hydroxy-2,5-dimethoxyxanthone

3-hydroxy-2,5-dimethoxyxanthone

C15H12O5 (272.0684702)


   

5-Deoxyanhydrofusarubin

5-Deoxyanhydrofusarubin

C15H12O5 (272.0684702)


   

3,5-Dimethoxy-4-hydroxybenzoic acid 1-(hydroxymethyl)-2-hydroxyethyl ester

3,5-Dimethoxy-4-hydroxybenzoic acid 1-(hydroxymethyl)-2-hydroxyethyl ester

C12H16O7 (272.0895986)


   
   

9-Dehydroxyeurotinone

9-Dehydroxyeurotinone

C15H12O5 (272.0684702)


   

6-methoxy-12-hydroxy-3-methoxycarbonyl-beta-carboline|Methyl 8-hydroxy-4-methoxy-beta-carboline-1-carboxylate

6-methoxy-12-hydroxy-3-methoxycarbonyl-beta-carboline|Methyl 8-hydroxy-4-methoxy-beta-carboline-1-carboxylate

C14H12N2O4 (272.0797032)


   

1-hydroxy-6,7-dimethoxyxanthone

1-hydroxy-6,7-dimethoxyxanthone

C15H12O5 (272.0684702)


   

1-Hydroxy-6-methoxy-7-(hydroxymethyl)xanthone

1-Hydroxy-6-methoxy-7-(hydroxymethyl)xanthone

C15H12O5 (272.0684702)


   
   

2-methoxy-3-oxoaaptamine

2-methoxy-3-oxoaaptamine

C14H12N2O4 (272.0797032)


   

2,4,4,6-tetrahydroxychalcone

2,4,4,6-tetrahydroxychalcone

C15H12O5 (272.0684702)


   

3,8-Dihydroxydehydroiso-alpha-lapachone

3,8-Dihydroxydehydroiso-alpha-lapachone

C15H12O5 (272.0684702)


   

6-hydroxy-1,2-dimethoxyxanthone

6-hydroxy-1,2-dimethoxyxanthone

C15H12O5 (272.0684702)


   
   

(+)-matteucen A|(3S,4R)-3,4-dihydro-4,6,8-trihydroxy-3-phenyl-isochromen-1-one

(+)-matteucen A|(3S,4R)-3,4-dihydro-4,6,8-trihydroxy-3-phenyl-isochromen-1-one

C15H12O5 (272.0684702)


   

1-Hydroxy-2,4-dimethoxyxanthone

1-Hydroxy-2,4-dimethoxyxanthone

C15H12O5 (272.0684702)


   

2-(4-Hydroxyphenyl)-2H-1-benzopyran-3,5,7-triol

2-(4-Hydroxyphenyl)-2H-1-benzopyran-3,5,7-triol

C15H12O5 (272.0684702)


   

2,5,7-trihydroxyflavanone dibenzoylmethane tautomer

2,5,7-trihydroxyflavanone dibenzoylmethane tautomer

C15H12O5 (272.0684702)


   
   

8-hydroxy-2-hydroxyisopropylnaphtho<2,3-b>furan-4,9-quinone|avicequinone D

8-hydroxy-2-hydroxyisopropylnaphtho<2,3-b>furan-4,9-quinone|avicequinone D

C15H12O5 (272.0684702)


   
   
   

1-hydroxy-5,6-dimethoxyxanthone

1-hydroxy-5,6-dimethoxyxanthone

C15H12O5 (272.0684702)


   
   

7-hydroxy-3-(hydroxymethyl)-1-methoxy-9h-xanthen-9-one

7-hydroxy-3-(hydroxymethyl)-1-methoxy-9h-xanthen-9-one

C15H12O5 (272.0684702)


   
   
   
   
   

6-Deoxy-Cyathiformine B|cyathiformine D

6-Deoxy-Cyathiformine B|cyathiformine D

C12H16O7 (272.0895986)


   

2-(prop-1-inyl)-5-(6-acetoxy-5-hydroxyhexa-1,3-diinyl)-thiophene

2-(prop-1-inyl)-5-(6-acetoxy-5-hydroxyhexa-1,3-diinyl)-thiophene

C15H12O3S (272.0507122)


   

3-(beta-hydroxycinnamoyl)-4-hydroxy-6-methyl-2h-pyran-2-one

3-(beta-hydroxycinnamoyl)-4-hydroxy-6-methyl-2h-pyran-2-one

C15H12O5 (272.0684702)


   
   
   

1,2-Dimethoxy-8-hydroxyxanthone

1,2-Dimethoxy-8-hydroxyxanthone

C15H12O5 (272.0684702)


   

9H-Xanthen-9-one, 3-hydroxy-2,4-dimethoxy-

9H-Xanthen-9-one, 3-hydroxy-2,4-dimethoxy-

C15H12O5 (272.0684702)


   
   

7-methanesulfonylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione|alpha-<7-(1,3-Dimethylxanthinyl)>methylmethylsulfon

7-methanesulfonylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione|alpha-<7-(1,3-Dimethylxanthinyl)>methylmethylsulfon

C9H12N4O4S (272.0579232)


   
   
   
   

3-(3,4-dihydroxyphenyl)lactate glycerol 1-O-ester|ranunchinesin A

3-(3,4-dihydroxyphenyl)lactate glycerol 1-O-ester|ranunchinesin A

C12H16O7 (272.0895986)


   

3,6,7-trihydroxyflavanone

3,6,7-trihydroxyflavanone

C15H12O5 (272.0684702)


   

1-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-beta-D-ribo-1,5-dideoxy-hexofuranuronic acid|Uridin-7-carbonsaeure

1-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-beta-D-ribo-1,5-dideoxy-hexofuranuronic acid|Uridin-7-carbonsaeure

C10H12N2O7 (272.0644482)


   
   

3-hydroxy-1,2-dimethoxy-9H-xanthen-9-one

3-hydroxy-1,2-dimethoxy-9H-xanthen-9-one

C15H12O5 (272.0684702)


   

2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate

NCGC00385024-01!2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate

C12H16O7 (272.0895986)


   

2,5,7-Trihydroxyflavanone

2,5,7-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

nimustine hydrochloride

nimustine hydrochloride

C9H13ClN6O2 (272.0788468)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents

   

2-hydroxyliquiritigenin

2-hydroxyliquiritigenin

C15H12O5 (272.0684702)


   

sappanol B

5,14,15-trihydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one

C15H12O5 (272.0684702)


Protosappanin A is a member of catechols. It has a role as a metabolite. Protosappanin A is a natural product found in Alpinia japonica, Biancaea decapetala, and Biancaea sappan with data available. A natural product found in Caesalpinia sappan. Protosappanin A (PTA), an immunosuppressive ingredient and major biphenyl compound isolated from Caesalpinia sappan L, suppresses JAK2/STAT3-dependent inflammation pathway through down-regulating the phosphorylation of JAK2 and STAT3[1]. Protosappanin A (PTA), an immunosuppressive ingredient and major biphenyl compound isolated from Caesalpinia sappan L, suppresses JAK2/STAT3-dependent inflammation pathway through down-regulating the phosphorylation of JAK2 and STAT3[1].

   

2-Hydroxypinocembrin

2,5,7-trihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

C15H12O5 (272.0684702)


2,5,7-trihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one is a trihydroxyflavanone carrying the hydroxy groups at positions 2,5 and 7. It is a trihydroxyflavanone and a member of 2-hydroxyflavanones.

   

Thunberginol_C

Thunbergil C ;3,4-Dihydro-6,8-dihydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one

C15H12O5 (272.0684702)


Thunberginol C is a natural product found in Hydrangea macrophylla and Hydrangea serrata with data available.

   

72VUP07IT5

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol;alpha-Arbutin

C12H16O7 (272.0895986)


Alpha-Arbutin is a glycoside. alpha-Arbutin is a natural product found in Rhodiola chrysanthemifolia, Rhodiola sacra, and other organisms with data available. See also: ... View More ... α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1]. α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1].

   

(+)-Butin

(+)-Butin

C15H12O5 (272.0684702)


(+)-Butin is the R enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1]. (+)-Butin is the R enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1].

   

Djalonensone

6H-Dibenzo[b,d]pyran-6-one, 3,7(3,9 or 7,9)-dihydroxy-9(7 or 3)-methoxy-1-methyl-

C15H12O5 (272.0684702)


Djalonensone is a benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins. It has a role as an antifungal agent, a fungal metabolite and a mycotoxin. It is a benzochromenone and an aromatic ether. It is functionally related to an alternariol. Alternariol monomethyl ether is a natural product found in Sonneratia alba, Talaromyces diversus, and other organisms with data available. Alternariol methyl ether is an altertoxin, which is a mycotoxin of Alternaria fungi. Altertoxins are important contaminants in cereals, vegetables, and fruits, as well as in the ground, on wood or walls. Studies have shown altertoxins to be toxic, genotoxic, mutagenic, and carcinogenic. In particular, they have been associated with esophageal cancer in humans. (A2977, A2979) A benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins.

   

3,4,6-Tri-O-acetyl-D-galactal

3,4,6-Tri-O-acetyl-D-galactal

C12H16O7 (272.0895986)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.781

   

Alternariol monomethyl ether_120111

Alternariol monomethyl ether_120111

C15H12O5 (272.0684702)


   

3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one

NCGC00180098-02!3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one

C15H12O5 (272.0684702)


   

1,6-dihydroxy-3-methoxy-8-methylxanthen-9-one

NCGC00380279-01!1,6-dihydroxy-3-methoxy-8-methylxanthen-9-one

C15H12O5 (272.0684702)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

NCGC00017346-06!5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H12O5 (272.0684702)


   

7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one

NCGC00384658-01!7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one

C15H12O5 (272.0684702)


   

6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one

NCGC00385856-01!6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one

C15H12O5 (272.0684702)


   

6-hydroxy-1,5-dimethoxyxanthen-9-one

NCGC00384827-01!6-hydroxy-1,5-dimethoxyxanthen-9-one

C15H12O5 (272.0684702)


   

3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one

NCGC00380600-01!3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one

C15H12O5 (272.0684702)


   

2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one

NCGC00180724-02!2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one

C15H12O5 (272.0684702)


   

Arbutin

Arbutin

C12H16O7 (272.0895986)


Arbutin is a glycoside; a glycosylated hydroquinone extracted from the bearberry plant in the genus Arctostaphylos. It inhibits tyrosinase and thus prevents the formation of melanin. Arbutin is therefore used as a skin-lightening agent. Arbutin is found in wheat, and is concentrated in pear skins (Pyrus communis) . It has been found as biomarker for the consumption of pears. Annotation level-1 Arbutin (β-Arbutin) is a competitive inhibitor of tyrosinase, with Kiapp values of 1.42 mM for monophenolase; 0.9 mM for diphenolase. Arbutin is also used as depigmenting agents[1]. Arbutin is a natural polyphenol isolated from the bearberry plant Arctostaphylos uvaursi, possesses with anti-oxidant, anti-inflammatory and anti-tumor properties[2][3]. Arbutin (β-Arbutin) is a competitive inhibitor of tyrosinase, with Kiapp values of 1.42 mM for monophenolase; 0.9 mM for diphenolase. Arbutin is also used as depigmenting agents[1]. Arbutin is a natural polyphenol isolated from the bearberry plant Arctostaphylos uvaursi, possesses with anti-oxidant, anti-inflammatory and anti-tumor properties[2][3].

   

7-Aminocephalosporanic acid

7-Aminocephalosporanic acid

C10H12N2O5S (272.0466902)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

3,4,7-Trihydroxyflavanone

3,4,7-Trihydroxyflavanone

C15H12O5 (272.0684702)


Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities. Butin significantly alleviates myocardial infarction and improves heart function, together with prevents diabetes-induced cardiac oxidative damage in rat[1][2]. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities. Butin significantly alleviates myocardial infarction and improves heart function, together with prevents diabetes-induced cardiac oxidative damage in rat[1][2].

   

3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one

3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one

C15H12O5 (272.0684702)


   
   

7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one

7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one

C15H12O5 (272.0684702)


   

Alternariol methyl ether

Alternariol monomethyl ether

C15H12O5 (272.0684702)


CONFIDENCE Reference Standard (Level 1)

   

Flavanone base + 3O

Flavanone base + 3O

C15H12O5 (272.0684702)


Annotation level-3

   

2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based on: CCMSLIB00000845523]

NCGC00385024-01!2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based on: CCMSLIB00000845523]

C12H16O7 (272.0895986)


   

7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one [IIN-based: Match]

NCGC00384658-01!7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one [IIN-based: Match]

C15H12O5 (272.0684702)


   

2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based: Match]

NCGC00385024-01!2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based: Match]

C12H16O7 (272.0895986)


   

7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one [IIN-based on: CCMSLIB00000846503]

NCGC00384658-01!7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one [IIN-based on: CCMSLIB00000846503]

C15H12O5 (272.0684702)


   

β-Naphthoflavone

beta-naphthoflavone

C19H12O2 (272.0837252)


C1892 - Chemopreventive Agent > C54629 - Phase I Enzymes Inhibitor C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D004791 - Enzyme Inhibitors > D001571 - Benzoflavones CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10249; ORIGINAL_PRECURSOR_SCAN_NO 10247 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10266; ORIGINAL_PRECURSOR_SCAN_NO 10265 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10292; ORIGINAL_PRECURSOR_SCAN_NO 10291 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10225; ORIGINAL_PRECURSOR_SCAN_NO 10224 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10335; ORIGINAL_PRECURSOR_SCAN_NO 10334 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10310; ORIGINAL_PRECURSOR_SCAN_NO 10308

   

Alpha-Arbutin

Alpha-Arbutin

C12H16O7 (272.0895986)


α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1]. α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1].

   

3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one_major

3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one_major

C15H12O5 (272.0684702)


   
   

Naringenin_pos

Naringenin_pos

C15H12O5 (272.0684702)


(±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1].

   

5-S-Cysteinyldopamine

(2R)-2-amino-3-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]sulfanylpropanoicacid

C11H16N2O4S (272.0830736)


   

5,8,4-Trihydroxyflavanone

5,8,4-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

Dihydrobaicalein

Dihydrobaicalein

C15H12O5 (272.0684702)


Dihydrobaicalein is a PLK1 Inhibitor with an IC50 of 6.3 μM. Dihydrobaicalein also inhibits VRK2 and PLK2. Dihydrobaicalein is a natural product that can be isolated from Scutellaria scandens[1]. Dihydrobaicalein is a PLK1 Inhibitor with an IC50 of 6.3 μM. Dihydrobaicalein also inhibits VRK2 and PLK2. Dihydrobaicalein is a natural product that can be isolated from Scutellaria scandens[1].

   

Asahina

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-

C15H12O5 (272.0684702)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity.

   

Fukiic acid

(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybutanedioic acid

C11H12O8 (272.0532152)


   

1-Hydroxy-3,7-dimethoxyxanthone

3,7-Dimethoxy-1-hydroxy-9H-xanthene-9-one

C15H12O5 (272.0684702)


   

Moracin J

5-(5-hydroxy-6-methoxy-1-benzofuran-2-yl)benzene-1,3-diol

C15H12O5 (272.0684702)


   

Anigorufone

2-Hydroxy-9-phenyl-1H-phenalen-1-one

C19H12O2 (272.0837252)


   

3'-Hydroxydihydrodaidzein

3-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


   

6-Hydroxydihydrodaidzein

6,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


   

8-Hydroxydihydrodaidzein

7,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O5 (272.0684702)


   

(-)-Glycinol

3,6a,9-Trihydroxypterocarpan

C15H12O5 (272.0684702)


   

tert-Butyl (3-chloro-2-nitrophenyl)carbamate

tert-Butyl (3-chloro-2-nitrophenyl)carbamate

C11H13ClN2O4 (272.0563808)


   

N-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL-2-(ETHYLAMINO)ACETAMIDE HYDROCHLORIDE

N-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL-2-(ETHYLAMINO)ACETAMIDE HYDROCHLORIDE

C12H17ClN2O3 (272.09276420000003)


   

3-(4-(4-FLUOROBENZYLOXY)PHENYL)ACRYLIC ACID

3-(4-(4-FLUOROBENZYLOXY)PHENYL)ACRYLIC ACID

C16H13FO3 (272.08486800000003)


   

1-tosyl-1H-benzo[d]imidazole

1-tosyl-1H-benzo[d]imidazole

C14H12N2O2S (272.0619452)


   

Zolimidine

2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

C14H12N2O2S (272.0619452)


A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent

   

Formaldehyde, dicyandiamide, ethylenediamine sulfate polymer

Formaldehyde, dicyandiamide, ethylenediamine sulfate polymer

C5H16N6O5S (272.0902846)


   

2,6-diamino-4-(2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile

2,6-diamino-4-(2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile

C13H9FN4S (272.0531926)


   

2-Hydroxyphenyl D-glucopyranoside

2-Hydroxyphenyl D-glucopyranoside

C12H16O7 (272.0895986)


   

4,4-Bis(methoxycarbonly)-2,2-bipyridine

4,4-Bis(methoxycarbonly)-2,2-bipyridine

C14H12N2O4 (272.0797032)


   

ETHYL 2-(((BENZYLOXY)CARBONYL)AMINO)ACETIMIDATE HYDROCHLORIDE

ETHYL 2-(((BENZYLOXY)CARBONYL)AMINO)ACETIMIDATE HYDROCHLORIDE

C12H17ClN2O3 (272.09276420000003)


   

8-BENZYLOXY-2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE

8-BENZYLOXY-2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE

C15H13ClN2O (272.0716358)


   

4-CHLORO-2-(2-FLUORO-PHENYL)-5-METHYL-QUINAZOLINE

4-CHLORO-2-(2-FLUORO-PHENYL)-5-METHYL-QUINAZOLINE

C15H10ClFN2 (272.0516502)


   

3 7-DIHYDROXYFLAVONE HYDRATE

3 7-DIHYDROXYFLAVONE HYDRATE

C15H12O5 (272.0684702)


   

3-NITRO-4-METHOXYBENZANILIDE

3-NITRO-4-METHOXYBENZANILIDE

C14H12N2O4 (272.0797032)


   

ethyl 2-(tert-butoxycarbonylamino)thiazole-4-carboxylate

ethyl 2-(tert-butoxycarbonylamino)thiazole-4-carboxylate

C11H16N2O4S (272.0830736)


   

1-(2-methoxylphenyl)-piperazine monohydrobromide

1-(2-methoxylphenyl)-piperazine monohydrobromide

C11H17BrN2O (272.0524172)


   

Morpholine,4-[(4-nitrophenyl)sulfonyl]-

Morpholine,4-[(4-nitrophenyl)sulfonyl]-

C10H12N2O5S (272.0466902)


   

(4-METHOXY-PHENYLAMINO)-ACETICACIDHYDRAZIDE

(4-METHOXY-PHENYLAMINO)-ACETICACIDHYDRAZIDE

C12H11F3N2S (272.0595002)


   

Boc-L-4-Thiazolylalanine

Boc-L-4-Thiazolylalanine

C11H16N2O4S (272.0830736)


   

4-(2-methyl-4-nitrophenoxy)piperidine,hydrochloride

4-(2-methyl-4-nitrophenoxy)piperidine,hydrochloride

C12H17ClN2O3 (272.09276420000003)


   

4-CHLORO-2-(2-FLUORO-PHENYL)-6-METHYL-QUINAZOLINE

4-CHLORO-2-(2-FLUORO-PHENYL)-6-METHYL-QUINAZOLINE

C15H10ClFN2 (272.0516502)


   

Butanoic acid,4-[[4-(aminosulfonyl)phenyl]amino]-4-oxo-

Butanoic acid,4-[[4-(aminosulfonyl)phenyl]amino]-4-oxo-

C10H12N2O5S (272.0466902)


   

(5-((TERT-BUTOXYCARBONYL)AMINO)-2-CHLOROPYRIDIN-4-YL)BORONIC ACID

(5-((TERT-BUTOXYCARBONYL)AMINO)-2-CHLOROPYRIDIN-4-YL)BORONIC ACID

C10H14BClN2O4 (272.07351040000003)


   

2-(2,5-Dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(2,5-Dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H10F6O (272.0635802)


   

2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzaldehyde

2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzaldehyde

C10H7F3N4O2 (272.0521078)


   

methyl 4-phenoxycarbonyloxybenzoate

methyl 4-phenoxycarbonyloxybenzoate

C15H12O5 (272.0684702)


   

1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione

1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione

C16H10F2O2 (272.0648824)


   

5-METHOXY-[1,1-BIPHENYL]-3,3-DICARBOXYLIC ACID

5-METHOXY-[1,1-BIPHENYL]-3,3-DICARBOXYLIC ACID

C15H12O5 (272.0684702)


   

5-METHOXY-[1,1-BIPHENYL]-3,4-DICARBOXYLIC ACID

5-METHOXY-[1,1-BIPHENYL]-3,4-DICARBOXYLIC ACID

C15H12O5 (272.0684702)


   

1-BENZYL-3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID

1-BENZYL-3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID

C14H12N2O2S (272.0619452)


   

ETHYL 4-HYDROXY-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE

ETHYL 4-HYDROXY-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE

C12H16O3S2 (272.0540826)


   

[1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol 97

[1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol 97

C12H11F3N2O2 (272.07725819999996)


   

[2-[4-(Aminosulfonyl)phenyl]ethyl]carbamic Acid Ethyl Ester

[2-[4-(Aminosulfonyl)phenyl]ethyl]carbamic Acid Ethyl Ester

C11H16N2O4S (272.0830736)


   

1-(3,5-DICHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYL]-METHYL-AMINE

1-(3,5-DICHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYL]-METHYL-AMINE

C13H18Cl2N2 (272.0846968)


   

3-(BENZO[D][1,3]DIOXOL-5-YL)-5-METHOXYBENZOIC ACID

3-(BENZO[D][1,3]DIOXOL-5-YL)-5-METHOXYBENZOIC ACID

C15H12O5 (272.0684702)


   

Methyl 4-anilino-3-nitrobenzoate

Methyl 4-anilino-3-nitrobenzoate

C14H12N2O4 (272.0797032)


   

Ro 24-7429

7-Chloro-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine

C14H13ClN4 (272.0828688)


   

l-(-)-o-tosyllactic acid ethyl ester

l-(-)-o-tosyllactic acid ethyl ester

C12H16O5S (272.07184060000003)


   

4,8-Ethenopyrrolo[3,4:3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-, (3aR,3bS,4R,4aR,7aS,8S,8aR,8bS)-rel-

4,8-Ethenopyrrolo[3,4:3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-, (3aR,3bS,4R,4aR,7aS,8S,8aR,8bS)-rel-

C14H12N2O4 (272.0797032)


   
   

(R)-(+)-2-AMINOMETHYL-1-ETHYLPYRROLIDINE

(R)-(+)-2-AMINOMETHYL-1-ETHYLPYRROLIDINE

C12H17O5P (272.0813562)


   

4-BENZYLAMINO-3-NITRO-BENZOIC ACID

4-BENZYLAMINO-3-NITRO-BENZOIC ACID

C14H12N2O4 (272.0797032)


   

2-(pyridin-2-ylmethoxy)aniline

2-(pyridin-2-ylmethoxy)aniline

C12H14Cl2N2O (272.0483134)


   

Tri-O-acetyl-D-glucal

Tri-O-acetyl-D-glucal

C12H16O7 (272.0895986)


   

2-(4-(TERT-BUTOXYCARBONYL)PHENYL)-2,2-DIFLUOROACETIC ACID

2-(4-(TERT-BUTOXYCARBONYL)PHENYL)-2,2-DIFLUOROACETIC ACID

C13H14F2O4 (272.0860108)


   

4-diethoxy-phosphoryl-methylbenzoic acid

4-diethoxy-phosphoryl-methylbenzoic acid

C12H17O5P (272.0813562)


   

2,4-Dichlorophenylboronic acid, pinacol ester

2,4-Dichlorophenylboronic acid, pinacol ester

C12H15BCl2O2 (272.05421)


   

3-(P-TOLYLOXY)PHTHALIC ACID

3-(P-TOLYLOXY)PHTHALIC ACID

C15H12O5 (272.0684702)


   

ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)THIAZOLE-5-CARBOXYLATE

ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)THIAZOLE-5-CARBOXYLATE

C11H16N2O4S (272.0830736)


   

5-carboxy-2-deoxyuridine

5-carboxy-2-deoxyuridine

C10H12N2O7 (272.0644482)


A nucleoside analogue that is 2-deoxyuridine in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group.

   

N-METHYL-N-([2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL]METHYL)AMINE

N-METHYL-N-([2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL]METHYL)AMINE

C12H11F3N2S (272.0595002)


   

cis-1,2-bis(benzylthio)ethylene

cis-1,2-bis(benzylthio)ethylene

C16H16S2 (272.0693376)


   

3-CHLORO-4-FORMYLPHENYLBORONIC ACID

3-CHLORO-4-FORMYLPHENYLBORONIC ACID

C14H12N2O4 (272.0797032)


   

Dimethyl [3,3-bipyridine]-6,6-dicarboxylate

Dimethyl [3,3-bipyridine]-6,6-dicarboxylate

C14H12N2O4 (272.0797032)


   

6-METHYL-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE

6-METHYL-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE

C14H12N2O2S (272.0619452)


   
   
   

2-(TERT-BUTOXYCARBONYLAMINO)-5-CHLOROPYRIDIN-4-YLBORONIC ACID

2-(TERT-BUTOXYCARBONYLAMINO)-5-CHLOROPYRIDIN-4-YLBORONIC ACID

C10H14BClN2O4 (272.07351040000003)


   

N-(3-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H13ClN4 (272.0828688)


   

2-ETHYLTHIO-2,2-DIPHENYLACETIC ACID

2-ETHYLTHIO-2,2-DIPHENYLACETIC ACID

C16H16O2S (272.0870956)


   

3,4-Dinitrobenzophenone

3,4-Dinitrobenzophenone

C13H8N2O5 (272.0433198)


   

4-[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL-]BUTANOIC ACID

4-[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL-]BUTANOIC ACID

C12H11F3N2O2 (272.07725819999996)


   

2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid

2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid

C14H12N2O4 (272.0797032)


   

2-(4-ISOPROPYLPHENYLTHIO)BENZOICACID

2-(4-ISOPROPYLPHENYLTHIO)BENZOICACID

C16H16O2S (272.0870956)


   

4-Oxo-1-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid

4-Oxo-1-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid

C13H11F3O3 (272.0660252)


   
   

2-(3,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H15BCl2O2 (272.05421)


   

6-Methoxy-3a-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one

6-Methoxy-3a-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one

C12H11F3N2O2 (272.07725819999996)


   

4- Methyl-1-(phenylsulfonyl)-1 H-pyrrolo[2,3-b]pyridine

4- Methyl-1-(phenylsulfonyl)-1 H-pyrrolo[2,3-b]pyridine

C14H12N2O2S (272.0619452)


   

2,6-diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile

2,6-diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile

C13H9FN4S (272.0531926)


   

6,6′-dimethyl-2,2′-bipyridine-4,4′-dicarboxylic acid

6,6′-dimethyl-2,2′-bipyridine-4,4′-dicarboxylic acid

C14H12N2O4 (272.0797032)


   

ETHYL 4-METHYL-5-OXO-4,5-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE

ETHYL 4-METHYL-5-OXO-4,5-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE

C13H12N4O3 (272.0909362)


   

3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole

3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole

C12H11F3N2O2 (272.07725819999996)


   

N2-(5-Fluoro-2,4-dinitrophenyl)-L-alaninamide

N2-(5-Fluoro-2,4-dinitrophenyl)-L-alaninamide

C9H9FN4O5 (272.0556956)


   

5-methyl-1-(phenylsulfonyl)-1H-Pyrrolo[2,3-b]pyridine

5-methyl-1-(phenylsulfonyl)-1H-Pyrrolo[2,3-b]pyridine

C14H12N2O2S (272.0619452)


   

ETHYL5-(TERT-BUTOXYCARBONYLAMINO)THIAZOLE-4-CARBOXYLATE

ETHYL5-(TERT-BUTOXYCARBONYLAMINO)THIAZOLE-4-CARBOXYLATE

C11H16N2O4S (272.0830736)


   

2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H15BCl2O2 (272.05421)


   

4-CHLORO-2-(4-FLUORO-PHENYL)-6-METHYL-QUINAZOLINE

4-CHLORO-2-(4-FLUORO-PHENYL)-6-METHYL-QUINAZOLINE

C15H10ClFN2 (272.0516502)


   

N-Amino-N-pentylguanidine hydroiodide

N-Amino-N-pentylguanidine hydroiodide

C6H17IN4 (272.0497912)


   

3,5-BIS(TRIFLUOROMETHYL)PHENYLDIMETHYLSILANE

3,5-BIS(TRIFLUOROMETHYL)PHENYLDIMETHYLSILANE

C10H10F6Si (272.0455932)


   

Nalidixate sodium

nalidixic acid sodium salt hydrate 97

C12H13N2NaO4 (272.0772978)


D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors

   

5-tert-butoxycarbonylamino-2-chloro-nicotinic acid

5-tert-butoxycarbonylamino-2-chloro-nicotinic acid

C11H13ClN2O4 (272.0563808)


   

4,4-BIS(METHYLTHIO)-2-PHENYL-1,3-BUTADIEN-1,1-DICARBONITRILE

4,4-BIS(METHYLTHIO)-2-PHENYL-1,3-BUTADIEN-1,1-DICARBONITRILE

C14H12N2S2 (272.0441872)


   

Ethyl 4-hydroxy-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-1,8-naphthyridine-3-carboxylate

Ethyl 4-hydroxy-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-1,8-naphthyridine-3-carboxylate

C14H12N2O4 (272.0797032)


   

Phenyl 1-thio-β-D-galactopyranoside

Phenyl 1-thio-β-D-galactopyranoside

C12H16O5S (272.07184060000003)


   

diammonium tetraborate

diammonium tetraborate

B4H8N2O12 (272.0449448)


   

2-(4-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE

2-(4-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE

C12H11F3N2O2 (272.07725819999996)


   

Ethyl 6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

Ethyl 6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

C12H11F3N2O2 (272.07725819999996)


   

1-(Phenylsulfonyl)-2-methyl-4-azaindole

1-(Phenylsulfonyl)-2-methyl-4-azaindole

C14H12N2O2S (272.0619452)


   

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone

C12H16O5S (272.07184060000003)


   

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine

C13H18Cl2N2 (272.0846968)


   

DIETHYL 2,5-DIFLUOROPHENYLMALONATE

DIETHYL 2,5-DIFLUOROPHENYLMALONATE

C13H14F2O4 (272.0860108)


   

Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate

Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate

C14H12N2O2S (272.0619452)


   

2-N-phenylquinazoline-2,4-diamine,hydrochloride

2-N-phenylquinazoline-2,4-diamine,hydrochloride

C14H13ClN4 (272.0828688)


   

(2-AMINO-PYRIDIN-3-YL)-ACETICACID

(2-AMINO-PYRIDIN-3-YL)-ACETICACID

C10H12N2O5S (272.0466902)


   

Benzenamine, 2-methoxy-5-(4-morpholinylsulfonyl)-

Benzenamine, 2-methoxy-5-(4-morpholinylsulfonyl)-

C11H16N2O4S (272.0830736)


   

2-BENZENESULFONYLMETHYL-1H-BENZOIMIDAZOLE

2-BENZENESULFONYLMETHYL-1H-BENZOIMIDAZOLE

C14H12N2O2S (272.0619452)


   

4-chloro-2-(3-methoxyphenyl)-2H-chromene

4-chloro-2-(3-methoxyphenyl)-2H-chromene

C16H13ClO2 (272.0604028)


   

Morpholine,4-[(3-nitrophenyl)sulfonyl]-

Morpholine,4-[(3-nitrophenyl)sulfonyl]-

C10H12N2O5S (272.0466902)


   

2-[(2-OXO-2-PHENYLETHYL)THIO]BENZOIC ACID

2-[(2-OXO-2-PHENYLETHYL)THIO]BENZOIC ACID

C15H12O3S (272.0507122)


   

4-NITRO-PHENYL-N-BENZYLCARBAMATE

4-NITRO-PHENYL-N-BENZYLCARBAMATE

C14H12N2O4 (272.0797032)


   

2-chloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide

2-chloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide

C15H13ClN2O (272.0716358)


   

N-(benzhydrylideneamino)-2-chloroacetamide

N-(benzhydrylideneamino)-2-chloroacetamide

C15H13ClN2O (272.0716358)


   

4-({[2-(dimethylamino)ethyl]amino}sulfonyl)benzoic acid

4-({[2-(dimethylamino)ethyl]amino}sulfonyl)benzoic acid

C11H16N2O4S (272.0830736)


   

3-(4-fluorophenoxy)-7-hydroxy-4h-1-benzopyran-4-on

3-(4-fluorophenoxy)-7-hydroxy-4h-1-benzopyran-4-on

C15H9FO4 (272.0484846)


   

phenyl-beta-d-thioglucopyranoside

phenyl-beta-d-thioglucopyranoside

C12H16O5S (272.07184060000003)


   

5-BENZYLOXY-ISOPHTHALIC ACID

5-BENZYLOXY-ISOPHTHALIC ACID

C15H12O5 (272.0684702)


   

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[3-(2-methoxyphenyl)-2-propenylidene]-

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[3-(2-methoxyphenyl)-2-propenylidene]-

C14H12N2O4 (272.0797032)


   

1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

C12H11F3N2O2 (272.07725819999996)


   

2,2-Bibenzothiazole,2,2,3,3-tetrahydro-

2,2-Bibenzothiazole,2,2,3,3-tetrahydro-

C14H12N2S2 (272.0441872)


   

Glycine,N-[[4-(acetylamino)phenyl]sulfonyl]-

Glycine,N-[[4-(acetylamino)phenyl]sulfonyl]-

C10H12N2O5S (272.0466902)


   

1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol

1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol

C11H10F6O (272.0635802)


   

3-[(4-fluorophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione

3-[(4-fluorophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione

C16H13FO3 (272.08486800000003)


   

N-(4-Methoxyphenyl)-2-nitrobenzamide

N-(4-Methoxyphenyl)-2-nitrobenzamide

C14H12N2O4 (272.0797032)


   

7-(4-CHLOROPHENYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE

7-(4-CHLOROPHENYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE

C14H13ClN4 (272.0828688)


   

4,4-Diamino-2,2-biphenyldicarboxylic acid

4,4-Diamino-2,2-biphenyldicarboxylic acid

C14H12N2O4 (272.0797032)


   

3-(2-fluorophenoxy)-7-hydroxychromen-4-one

3-(2-fluorophenoxy)-7-hydroxychromen-4-one

C15H9FO4 (272.0484846)


   

3-amino-n-[2-(2-hydroxyethyl)sulfonyl]ethyl benzamide

3-amino-n-[2-(2-hydroxyethyl)sulfonyl]ethyl benzamide

C11H16N2O4S (272.0830736)


   

Allyl 2,2,3,3,4,4,5,5-octafluoropentyl ether

Allyl 2,2,3,3,4,4,5,5-octafluoropentyl ether

C8H8F8O (272.0447374)


   

2,11-dithia[3.3]paracyclophane

2,11-dithia[3.3]paracyclophane

C16H16S2 (272.0693376)


   

2-BENZYLSULFANYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL

2-BENZYLSULFANYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL

C13H12N4OS (272.0731782)


   

(6E)-6-[(3-methoxyphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

(6E)-6-[(3-methoxyphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H12N2O2S (272.0619452)


   

6-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H12N2O2S (272.0619452)


   

5-tert-Butoxycarbonylamino-thiazole-2-carboxylic acid ethyl ester

5-tert-Butoxycarbonylamino-thiazole-2-carboxylic acid ethyl ester

C11H16N2O4S (272.0830736)


   

4-(2-Aminoethylthio)-2-(trifluoromethyl)quinoline

4-(2-Aminoethylthio)-2-(trifluoromethyl)quinoline

C12H11F3N2S (272.0595002)


   

1-PYRIDIN-3-YL-1-TOSYLMETHYLISOCYANIDE

1-PYRIDIN-3-YL-1-TOSYLMETHYLISOCYANIDE

C14H12N2O2S (272.0619452)


   

Tetrakis(2-hydroxyethyl) orthosilicate

Tetrakis(2-hydroxyethyl) orthosilicate

C8H20O8Si (272.09274)


   

2-[3,5-bis-(Trifluoromethyl)phenyl]propan-2-ol

2-[3,5-bis-(Trifluoromethyl)phenyl]propan-2-ol

C11H10F6O (272.0635802)


   
   

Dimethyl 2,2-bipyridine-5,5-dicarboxylate

Dimethyl 2,2-bipyridine-5,5-dicarboxylate

C14H12N2O4 (272.0797032)


   

2,6-Anhydro-1-deoxy-L-arabino-hex-5-enitol 3,4,5-triacetate

2,6-Anhydro-1-deoxy-L-arabino-hex-5-enitol 3,4,5-triacetate

C12H16O7 (272.0895986)


   
   

2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C12H15BClFO3 (272.0786752)


   

5-(4-METHOXYPHENYL)PYRIDIN-2-YLAMINE DIHYDROCHLORIDE

5-(4-METHOXYPHENYL)PYRIDIN-2-YLAMINE DIHYDROCHLORIDE

C12H14Cl2N2O (272.0483134)


   

2-Phenyl-2-propyl benzodithioate

2-Phenyl-2-propyl benzodithioate

C16H16S2 (272.0693376)


   

dimethyl 3,3-bipyridine-5,5-dicarboxylate

dimethyl 3,3-bipyridine-5,5-dicarboxylate

C14H12N2O4 (272.0797032)


   

(E)-1-(2,4-Dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)prop-2-en-1-one

(E)-1-(2,4-Dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)prop-2-en-1-one

C15H12O5 (272.0684702)


   

N-ISOBUTYL-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]-AMINE

N-ISOBUTYL-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]-AMINE

C11H13ClN2O4 (272.0563808)


   

4-Chlorobutyl 3,4-dimethoxybenzoate

4-Chlorobutyl 3,4-dimethoxybenzoate

C13H17ClO4 (272.08153120000003)


   

3-[2-(methylcarbamoyl)pyridin-4-yl]oxybenzoic acid

3-[2-(methylcarbamoyl)pyridin-4-yl]oxybenzoic acid

C14H12N2O4 (272.0797032)


   

1-(4-CHLOROBUTYRYL)-2,4,6-TRIMETHOXYBENZENE

1-(4-CHLOROBUTYRYL)-2,4,6-TRIMETHOXYBENZENE

C13H17ClO4 (272.08153120000003)


   

1-(4-CHLORO-PHENYL)-4-PHENYL-BUTANE-1,4-DIONE

1-(4-CHLORO-PHENYL)-4-PHENYL-BUTANE-1,4-DIONE

C16H13ClO2 (272.0604028)


   

5-Methyl-2,3-diphenyl-2H-tetrazol-3-ium chloride

5-Methyl-2,3-diphenyl-2H-tetrazol-3-ium chloride

C14H13ClN4 (272.0828688)


   

4-Chloro-4-methoxychalcone

4-Chloro-4-methoxychalcone

C16H13ClO2 (272.0604028)


   

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid

C11H13ClN2O4 (272.0563808)


   

2-METHYL-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE

2-METHYL-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE

C14H12N2O2S (272.0619452)


   

diethyl 2-(2,6-difluorophenyl)propanedioate

diethyl 2-(2,6-difluorophenyl)propanedioate

C13H14F2O4 (272.0860108)


   

(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYLAMINE

(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYLAMINE

C13H12N4OS (272.0731782)


   

1-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPAN-2-AMINE

1-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPAN-2-AMINE

C13H12N4OS (272.0731782)


   

3-(2-AMINOPHENYL)-1,3-OXAZOLIDIN-2-ONE

3-(2-AMINOPHENYL)-1,3-OXAZOLIDIN-2-ONE

C13H12N4OS (272.0731782)


   

boc-d-4-thiazolylalanine

boc-d-4-thiazolylalanine

C11H16N2O4S (272.0830736)


   

(4-((NEOPENTYLOXY)SULFONYL)PHENYL)BORONIC ACID

(4-((NEOPENTYLOXY)SULFONYL)PHENYL)BORONIC ACID

C11H17BO5S (272.08897020000006)


   

diethyl 2-(2,4-difluorophenyl)propanedioate

diethyl 2-(2,4-difluorophenyl)propanedioate

C13H14F2O4 (272.0860108)


   

6-Methyl-2(propane-1-sulfonyl)-2H-thieno[3,2-D][1,2,3]diazaborinin-1-OL

6-Methyl-2(propane-1-sulfonyl)-2H-thieno[3,2-D][1,2,3]diazaborinin-1-OL

C9H13BN2O3S2 (272.0460618)


   

3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-D]pyrimidin-2-YL)-benzoic acid

3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-D]pyrimidin-2-YL)-benzoic acid

C11H8N6O3 (272.06578579999996)


   

(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

C15H12O5 (272.0684702)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

(2R,3S)-2,4,7-trihydroxyisoflavanone

(2R,3S)-2,4,7-trihydroxyisoflavanone

C15H12O5 (272.0684702)


A hydroxyisoflavanones that is isoflavanone bearing hydroxy groups at the 2, 7 and 4 positions, with R and S configurations at C-2 and C-3 respectively.

   

6-Hydroxy-2-[hydroxy-(4-hydroxyphenyl)methyl]-1-benzofuran-3-one

6-Hydroxy-2-[hydroxy-(4-hydroxyphenyl)methyl]-1-benzofuran-3-one

C15H12O5 (272.0684702)


   

Phenyl beta-D-thiogalactopyranoside

Phenyl beta-D-thiogalactopyranoside

C12H16O5S (272.07184060000003)


   

(Z)-5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one

(Z)-5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one

C15H13ClN2O (272.0716358)


   

Dibenzo(b,f)thiepin-3-methanol, 5,5-dioxide

Dibenzo(b,f)thiepin-3-methanol, 5,5-dioxide

C15H12O3S (272.0507122)


   

1-[2-(3,4-Dichlorophenyl)ethyl]-4-methylpiperazine

1-[2-(3,4-Dichlorophenyl)ethyl]-4-methylpiperazine

C13H18Cl2N2 (272.0846968)


   

N-(4-nitrophenyl)-2-phenoxyacetamide

N-(4-nitrophenyl)-2-phenoxyacetamide

C14H12N2O4 (272.0797032)


   

Phenazine, 1,6-dimethoxy-, 5,10-dioxide

Phenazine, 1,6-dimethoxy-, 5,10-dioxide

C14H12N2O4 (272.0797032)


   

2-Hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid

2-Hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid

C15H12O5 (272.0684702)


A monohydroxybenzoic acid that is 2-hydroxybenzoic acid substituted by a 2-(4-hydroxyphenyl)-2-oxoethyl group at position 6. It has been isolated from the roots of Scorzonera judaica.

   

Hydramacrophyllol A

Hydramacrophyllol A

C15H12O5 (272.0684702)


An isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (S)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica.

   

N-(1,3-benzodioxol-5-ylmethyl)-4-nitroaniline

N-(1,3-benzodioxol-5-ylmethyl)-4-nitroaniline

C14H12N2O4 (272.0797032)


   

2-[2-(3-Methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzoic acid

2-[2-(3-Methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzoic acid

C14H12N2O4 (272.0797032)


   

N,N-dimethyl-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide

N,N-dimethyl-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide

C12H12N6S (272.08441120000003)


   

N-(2,3-dihydroxybenzylidene)-2-hydroxybenzohydrazide

N-(2,3-dihydroxybenzylidene)-2-hydroxybenzohydrazide

C14H12N2O4 (272.0797032)


   

3-(2,6-Dihydroxyphenyl)-4-hydroxy-6-methylisobenzofuran-1(3H)-one

3-(2,6-Dihydroxyphenyl)-4-hydroxy-6-methylisobenzofuran-1(3H)-one

C15H12O5 (272.0684702)


   

Toralactone

9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1-one

C15H12O5 (272.0684702)


Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1]. Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1].

   

1,3-Dihydroxy-6-methoxy-8-methyl-9-xanthenone

1,3-Dihydroxy-6-methoxy-8-methyl-9-xanthenone

C15H12O5 (272.0684702)


   

1-Phenyl-3-(2,4,6-trihydroxyphenyl)propane-1,3-dione

1-Phenyl-3-(2,4,6-trihydroxyphenyl)propane-1,3-dione

C15H12O5 (272.0684702)


   

2,3,4-Trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate

2,3,4-Trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate

C12H16O7 (272.0895986)


   

(6R)-3-(acetoxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R)-3-(acetoxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C10H12N2O5S (272.0466902)


   

(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate

(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate

C14H12N2O4-2 (272.0797032)


   

2,4,7-Trihydroxyisoflavanone

2,4,7-Trihydroxyisoflavanone

C15H12O5 (272.0684702)


   

3,8,9,10-Tetrahydroxy-6-methyl-1,4-dihydroanthracen-1-one

3,8,9,10-Tetrahydroxy-6-methyl-1,4-dihydroanthracen-1-one

C15H12O5 (272.0684702)


   

(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one

(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one

C15H12O5 (272.0684702)


   

Hydramacrophyllol B

Hydramacrophyllol B

C15H12O5 (272.0684702)


An isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (R)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica.

   

1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one

1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one

C15H12O3S (272.0507122)


   

2-(4,5,6,7-Tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole

2-(4,5,6,7-Tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole

C14H12N2S2 (272.0441872)


   

3-(2-Furanylmethyl)-5-(2-methoxyethyl)-1,3,5-thiadiazinane-2-thione

3-(2-Furanylmethyl)-5-(2-methoxyethyl)-1,3,5-thiadiazinane-2-thione

C11H16N2O2S2 (272.0653156)


   

1-[2-(2-Chlorophenoxy)ethyl]benzimidazole

1-[2-(2-Chlorophenoxy)ethyl]benzimidazole

C15H13ClN2O (272.0716358)


   

4b,9b-dihydroxy-7,8-dihydro-6H-indeno[1,2-b]benzofuran-9,10-dione

4b,9b-dihydroxy-7,8-dihydro-6H-indeno[1,2-b]benzofuran-9,10-dione

C15H12O5 (272.0684702)


   

1,5-Dioxo-2,4-dihydropyrrolo[1,2-a]quinazoline-3-carboxylic acid ethyl ester

1,5-Dioxo-2,4-dihydropyrrolo[1,2-a]quinazoline-3-carboxylic acid ethyl ester

C14H12N2O4 (272.0797032)


   

(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

C14H12N2O2S (272.0619452)


   

4-[(5-Oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid

4-[(5-Oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid

C14H12N2O4 (272.0797032)


   

2-(6-Imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester

2-(6-Imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester

C14H12N2O2S (272.0619452)


   

2-(2-furanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-(2-furanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

C14H12N2O2S (272.0619452)


   

1-[2-[(4-Chloro-1-naphthalenyl)oxy]ethyl]imidazole

1-[2-[(4-Chloro-1-naphthalenyl)oxy]ethyl]imidazole

C15H13ClN2O (272.0716358)


   

(E)-1-[5-(2-Chlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-[5-(2-Chlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

C13H9ClN4O (272.0464854)


   

(7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C10H12N2O5S (272.0466902)


   

2-O-sulfo-3,4-di-O-methyl-alpha-L-rhamnose

2-O-sulfo-3,4-di-O-methyl-alpha-L-rhamnose

C8H16O8S (272.0565856)


   

(2R)-2,5,7-trihydroxy-2-phenyl-3H-chromen-4-one

(2R)-2,5,7-trihydroxy-2-phenyl-3H-chromen-4-one

C15H12O5 (272.0684702)


   

(2S)-2-amino-3-[[5-(2-aminoethyl)-2,3-dihydroxyphenyl]thio]propanoic acid

(2S)-2-amino-3-[[5-(2-aminoethyl)-2,3-dihydroxyphenyl]thio]propanoic acid

C11H16N2O4S (272.0830736)


   

4-(4-Acetoxyphenoxy)benzoic acid

4-(4-Acetoxyphenoxy)benzoic acid

C15H12O5 (272.0684702)


   

4-(3-Acetoxyphenoxy)benzoic acid

4-(3-Acetoxyphenoxy)benzoic acid

C15H12O5 (272.0684702)


   

6-Hydroxy-1,5-dimethoxy-xanthone

6-Hydroxy-1,5-dimethoxy-xanthone

C15H12O5 (272.0684702)


   

3-Methoxycarbonylmethyl-1-(tetrahydrofuran-2-yl)-5-fluorouracil

3-Methoxycarbonylmethyl-1-(tetrahydrofuran-2-yl)-5-fluorouracil

C11H13FN2O5 (272.080846)


   

3-Chloromethyl-2-phenylchroman-4-one

3-Chloromethyl-2-phenylchroman-4-one

C16H13ClO2 (272.0604028)


   

4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;chloride

4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;chloride

C12H15ClNO4- (272.068956)


   

5-Chrysenecarboxylic acid

5-Chrysenecarboxylic acid

C19H12O2 (272.0837252)


   

(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid

(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid

C14H12N2O4 (272.0797032)


A member of the class of phenazines that is 1,4,10,10a-tetrahydrophenazine substituted at positions 1 and 6 by carboxy groups (the 1R,10aS-diastereomer).

   

7beta-aminocephalosporanic acid zwitterion

7beta-aminocephalosporanic acid zwitterion

C10H12N2O5S (272.0466902)


Zwitterionic form of 7beta-aminocephalosporanic acid.

   

(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate

(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate

C14H12N2O4 (272.0797032)


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.

   

Dihydrogenistein

4,5,7-Trihydroxyisoflavan-4-one

C15H12O5 (272.0684702)


A hydroxyisoflavanone comprising isoflavanone carrying three hydroxy substituents at positions 5, 7 and 4.

   

4,5,8-Trihydroxyflavanone

4,5,8-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

(2R,3R)-3,4,7-Trihydroxyflavanone

(2R,3R)-3,4,7-Trihydroxyflavanone

C15H12O5 (272.0684702)


   

2,4,7-trihydroxyisoflavanone

2,4,7-trihydroxyisoflavanone

C15H12O5 (272.0684702)


A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 2, 7 and 4.

   

3,4,9-Trihydroxypterocarpan

3,4,9-Trihydroxypterocarpan

C15H12O5 (272.0684702)


   

3-Hydroxydihydrodaidzein

3-Hydroxydihydrodaidzein

C15H12O5 (272.0684702)


   
   

1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid

1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid

C10H12N2O7 (272.0644482)


   

1,6-dimethoxyphenazine N(5),N(10)-dioxide

1,6-dimethoxyphenazine N(5),N(10)-dioxide

C14H12N2O4 (272.0797032)


An N-oxide that is 1,6-dimethoxyphenazine carrying oxido groups at positions 5 and 10; Major microspecies at pH 7.3.

   

4-coumaroyltriacetic acid lactone

4-coumaroyltriacetic acid lactone

C15H12O5 (272.0684702)


A polyketide that is 4-hydroxypyran-2-one carrying an additional 4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl group at position 6; produced due to derailment from the canonical 2,4,4,6-tetrahydroxychalcone-producing reaction pathway.

   

7beta-aminocephalosporanic acid

7beta-aminocephalosporanic acid

C10H12N2O5S (272.0466902)


The alpha,beta-unsaturated monocarboxylic acid that is the active nucleus for the synthesis of cephalosporins and intermediates.

   

(R)-naringenin

(R)-naringenin

C15H12O5 (272.0684702)


The (R)-enantiomer of naringenin.

   

3,6,9-Trihydroxypterocarpan

3,6,9-Trihydroxypterocarpan

C15H12O5 (272.0684702)


A member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9.

   

adefovir(1-)

adefovir(1-)

C8H11N5O4P (272.0548636)


A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

6,7,4'-Trihydroxyisoflavanone

6,7,4'-Trihydroxyisoflavanone

C15H12O5 (272.0684702)


   
   

Aminocephalosporanic acid

Aminocephalosporanic acid

C10H12N2O5S (272.0466902)


   
   

2'-Hydroxydihydrodaidzein

2'-Hydroxydihydrodaidzein

C15H12O5 (272.0684702)


   

Hydroxydihydrodaidzein

Hydroxydihydrodaidzein

C15H12O5 (272.0684702)


   

ADX88178

ADX88178

C12H12N6S (272.08441120000003)


ADX88178 is a potent metabotropic glutamate receptor 4 positive allosteric modulator (mGluR4 PAM) with an EC50 of 4 nM for human mGluR4.

   

3-(2,6-dihydroxyphenyl)-7-hydroxy-5-methyl-3h-2-benzofuran-1-one

3-(2,6-dihydroxyphenyl)-7-hydroxy-5-methyl-3h-2-benzofuran-1-one

C15H12O5 (272.0684702)


   

2-hydroxy-1,8-dimethoxyxanthen-9-one

2-hydroxy-1,8-dimethoxyxanthen-9-one

C15H12O5 (272.0684702)


   

5,11-dihydroxy-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid

5,11-dihydroxy-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid

C15H12O5 (272.0684702)


   

4,6,8-trihydroxy-3-phenyl-3,4-dihydro-2-benzopyran-1-one

4,6,8-trihydroxy-3-phenyl-3,4-dihydro-2-benzopyran-1-one

C15H12O5 (272.0684702)


   

2-[(1r)-1-hydroxyethyl]-8-methoxynaphtho[2,3-b]furan-4,9-dione

2-[(1r)-1-hydroxyethyl]-8-methoxynaphtho[2,3-b]furan-4,9-dione

C15H12O5 (272.0684702)


   

5,8-dihydroxy-6-methoxy-2-methylbenzo[g]chromen-4-one

5,8-dihydroxy-6-methoxy-2-methylbenzo[g]chromen-4-one

C15H12O5 (272.0684702)


   

6-hydroxy-1,2-dimethoxyxanthen-9-one

6-hydroxy-1,2-dimethoxyxanthen-9-one

C15H12O5 (272.0684702)


   

2-hydroxy-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-yl acetate

2-hydroxy-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-yl acetate

C15H12O3S (272.0507122)


   

3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3a,7a-dihydro-2-benzofuran-1-one

3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3a,7a-dihydro-2-benzofuran-1-one

C15H12O5 (272.0684702)


   

8-hydroxy-1,2-dimethoxyxanthen-9-one

8-hydroxy-1,2-dimethoxyxanthen-9-one

C15H12O5 (272.0684702)


   

7β-aminocephalosporanic acid

7β-aminocephalosporanic acid

C10H12N2O5S (272.0466902)


   

2-[(1r)-1-hydroxyethyl]-6-methoxynaphtho[2,3-b]furan-4,9-dione

2-[(1r)-1-hydroxyethyl]-6-methoxynaphtho[2,3-b]furan-4,9-dione

C15H12O5 (272.0684702)


   

(2s)-2-[(4s)-4-[(1-hydroxyethylidene)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

(2s)-2-[(4s)-4-[(1-hydroxyethylidene)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

C10H12N2O7 (272.0644482)


   

1,3-dihydroxy-8-(hydroxymethyl)-6-methylxanthen-9-one

1,3-dihydroxy-8-(hydroxymethyl)-6-methylxanthen-9-one

C15H12O5 (272.0684702)


   

1-hydroxy-6,7-dimethoxyxanthen-9-one

1-hydroxy-6,7-dimethoxyxanthen-9-one

C15H12O5 (272.0684702)


   

(2e)-3-(benzenesulfonyl)-1-phenylprop-2-en-1-one

(2e)-3-(benzenesulfonyl)-1-phenylprop-2-en-1-one

C15H12O3S (272.0507122)


   

1-hydroxy-7-(hydroxymethyl)-6-methoxyxanthen-9-one

1-hydroxy-7-(hydroxymethyl)-6-methoxyxanthen-9-one

C15H12O5 (272.0684702)


   

(2s)-5,7-dihydroxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione

(2s)-5,7-dihydroxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione

C15H12O5 (272.0684702)