Exact Mass: 274.0347
Exact Mass Matches: 274.0347
Found 500 metabolites which its exact mass value is equals to given mass value 274.0347,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phloretin
Phloretin is the aglucone of phlorizin, a plant-derived dihydrochalcone phytochemical reported to promote potent antioxidative activities in peroxynitrite scavenging and the inhibition of lipid peroxidation. Phloretin, which is present in apples, pears and tomatoes, has been found to inhibit the growth of several cancer cells and induce apoptosis of B16 melanoma and HL60 human leukemia cells. Phloretin also inhibits HT-29 cell growth by inducing apoptosis, which may be mediated through changes in mitochondrial membrane permeability and activation of the caspase pathways. Phloretin is a well-known inhibitor of eukaryotic urea transporters, blocks VacA-mediated urea and ion transport (PMID:18158826, 11560962, 18063724, 15671209, 12083758). Phloretin is a biomarker for the consumption of apples. Phloretin has been found to be a metabolite of Escherichia (PMID:23542617). Phloretin is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2, 4 and 6. It has a role as a plant metabolite and an antineoplastic agent. It is functionally related to a dihydrochalcone. Phloretin is a natural dihydrochalcone found in apples and many other fruits. Phloretin is a natural product found in Malus doumeri, Populus candicans, and other organisms with data available. A natural dihydrochalcone found in apples and many other fruits. Phloretin is a dihydrochalcone, a type of natural phenols. It is the phloroglucin ester of paraoxyhydratropic acid. It can be found in apple tree leaves. Phloretin is a biomarker for the consumption of apples. A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2, 4 and 6. IPB_RECORD: 341; CONFIDENCE confident structure Phloretin (NSC 407292; RJC 02792) is a flavonoid extracted from Malus pumila Mill., has anti-inflammatory activities. Phloridzin is a specific, competitive and orally active inhibitor of sodium/glucose cotransporters in the intestine (SGLT1) and kidney (SGLT2). Phloretin inhibits Yeast-made GLUT1 as well as Human erythrocyte GLUT1 with IC50values of 49 μM and 61 μM, respectively[1].Phloretin has the potential for the treatment of rheumatoid arthritis (RA)?and allergic airway inflammation[4]. Phloretin (NSC 407292; RJC 02792) is a flavonoid extracted from Malus pumila Mill., has anti-inflammatory activities. Phloridzin is a specific, competitive and orally active inhibitor of sodium/glucose cotransporters in the intestine (SGLT1) and kidney (SGLT2). Phloretin inhibits Yeast-made GLUT1 as well as Human erythrocyte GLUT1 with IC50values of 49 μM and 61 μM, respectively[1].Phloretin has the potential for the treatment of rheumatoid arthritis (RA)?and allergic airway inflammation[4]. Phloretin (NSC 407292; RJC 02792) is a flavonoid extracted from Malus pumila Mill., has anti-inflammatory activities. Phloridzin is a specific, competitive and orally active inhibitor of sodium/glucose cotransporters in the intestine (SGLT1) and kidney (SGLT2). Phloretin inhibits Yeast-made GLUT1 as well as Human erythrocyte GLUT1 with IC50values of 49 μM and 61 μM, respectively[1].Phloretin has the potential for the treatment of rheumatoid arthritis (RA)?and allergic airway inflammation[4].
(R)-Methysticin
Methysticin is a member of 2-pyranones and an aromatic ether. Methysticin is a natural product found in Piper methysticum and Piper majusculum with data available. See also: Piper methysticum root (part of). (R)-Methysticin is found in beverages. (R)-Methysticin is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Methylsticin is a kavalactone isolated from the Piper methysticum . Methylsticin exhibit osteoclast formation inhibitory activity[1]. Methylsticin is a kavalactone isolated from the Piper methysticum . Methylsticin exhibit osteoclast formation inhibitory activity[1].
Bellidifolin
Bellidifolin is a member of the xanthone family that is bellidin substituted with a methyl group at O-3. A natural product found particularly in Swertia chirata and Gentianella campestris. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a hypoglycemic agent and a metabolite. It is a member of xanthones and a polyphenol. It is functionally related to a bellidin. Bellidifolin is a natural product found in Gentiana orbicularis, Gentianella amarella, and other organisms with data available. Bellidifolin is a xanthone isolated from the stems of Swertia punicea, with hepatoprotective, hypoglycemic, anti-oxidation, anti-inflammatory and antitumor activities[1][2][3]. Bellidifolin also acts as a viral protein R (Vpr) inhibitor[4]. Bellidifolin is a xanthone isolated from the stems of Swertia punicea, with hepatoprotective, hypoglycemic, anti-oxidation, anti-inflammatory and antitumor activities[1][2][3]. Bellidifolin also acts as a viral protein R (Vpr) inhibitor[4].
Afzelechin
Afzelechin is a tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4 respectively. It has a role as a plant metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a tetrahydroxyflavan and a catechin. It derives from a hydride of a (2S)-flavan. Afzelechin is a natural product found in Cassipourea gummiflua, Bergenia ligulata, and other organisms with data available. A tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4 respectively.
6-phospho-2-dehydro-D-gluconate
A ketoaldonic acid phosphate that is the 6-phospho derivative of 2-dehydro-D-gluconic acid.
4-Ketocyclophosphamide
4-Ketocyclophosphamide is a metabolite of cyclophosphamide. Cyclophosphamide (trade names Endoxan, Cytoxan, Neosar, Procytox, Revimmune), also known as cytophosphane, is a nitrogen mustard alkylating agent, from the oxazophorines group. An alkylating agent adds an alkyl group (CnH2n+1) to DNA. It attaches the alkyl group to the guanine base of DNA, at the number 7 nitrogen atom of the imidazole ring. It is used to treat various types of cancer and some autoimmune disorders. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
alpha-Pyrufuran
alpha-Pyrufuran is found in pear. Phytoalexin from Pyrus communis (pear
beta-Pyrufuran
Phytoalexin from Pyrus communis (pear). beta-Pyrufuran is found in pomes and pear. beta-Pyrufuran is found in pear. Phytoalexin from Pyrus communis (pear
3,3',4',7-Tetrahydroxyflavan
Quebrachocatechin, of undetd. stereochem., isolated from Quebracho in 1934. Quebrachocatechol is isolated from quebrach
Isoathyriol
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7 and a methoxy group at position 6.
Swertianin
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 6. It has been isolated from various species of the genus Swertia and has been found to exhibit antioxidant activities.
Luteoliflavan
A tetrahydroxyflavan in which the four hydroxy groups are located at positions 3, 4, 5 and 7.
(2xi,4xi)-4,4',5,7-Tetrahydroxyflavan
(2xi,4xi)-4,4,5,7-Tetrahydroxyflavan is found in cereals and cereal products. (2xi,4xi)-4,4,5,7-Tetrahydroxyflavan is isolated from cobs and silk of corn (Zea mays). Isolated from cobs and silk of corn (Zea mays). (2xi,4xi)-4,4,5,7-Tetrahydroxyflavan is found in cereals and cereal products.
5,8-Diethoxypsoralen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
3-Dehydro-L-gulonate 6-phosphate
3-Dehydro-L-gulonate 6-phosphate is an intermediate in the metabolic pathways of glucose metabolism. Its chemical structure is characterized by a hexose sugar backbone with specific modifications. The "3-Dehydro" part of its name indicates the presence of a double bond at the third carbon atom due to the removal of two hydrogen atoms, which differentiates it from the corresponding sugar. The "L-gulonate" portion refers to its derivation from L-gulonic acid, a sugar acid. The "6-phosphate" indicates the presence of a phosphate group attached to the sixth carbon atom of the sugar. Biologically, 3-Dehydro-L-gulonate 6-phosphate plays a role in the metabolism of glucose. It is involved in the process of gluconeogenesis, which is the synthesis of glucose from non-carbohydrate sources, such as amino acids and glycerol. This pathway is particularly important during periods of fasting or low carbohydrate intake, where the body needs to maintain blood glucose levels for energy production. Additionally, 3-Dehydro-L-gulonate 6-phosphate may also be involved in other metabolic pathways, including the pentose phosphate pathway, which is important for the production of NADPH (an important reducing agent in the cell) and ribose-5-phosphate (a precursor for nucleotide synthesis). In summary, 3-Dehydro-L-gulonate 6-phosphate is a chemically modified sugar phosphate that serves as an intermediate in various metabolic pathways, particularly in the synthesis and breakdown of glucose. Its presence and regulation are crucial for maintaining energy balance and providing necessary building blocks for cellular processes in living organisms.
(2S,3S,4R)-3,4,4',7-Tetrahydroxyflavan
(2S,3R,4R)-3,4,4,7-Tetrahydroxyflavan is found in fruits. (2S,3R,4R)-3,4,4,7-Tetrahydroxyflavan is a constituent of the seeds of Musa sapientum (banana). Constituent of the seeds of Musa sapientum (banana). (2S,3S,4R)-3,4,4,7-Tetrahydroxyflavan is found in fruits.
4-Ketoifosfamide
4-Ketoifosfamide is a metabolite of ifosfamide. Ifosfamide (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Disulfoton
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
D-Glucuronic acid 1-phosphate
D-Glucuronic acid 1-phosphate is an end product of the UDP-glucuronic acid pathway. Formation of free glucuronic acid from UDP-glucuronic acid can be considered as the first step in the synthesis of vitamin C, a pathway that occurs in most vertebrates, although not in guinea pigs and primates, including humans. Free glucuronic acid can also be converted to pentose phosphate intermediates via the pentose pathway. The latter is interrupted in subjects with pentosuria, who have a deficiency in l-xylulose reductase (EC 1.1.1.10, an enzyme that belongs to the short-chain dehydrogenase/reductase family) and excrete abnormal amounts of l-xylulose. Some xenobiotics stimulate the formation of vitamin C in animals and enhance the excretion of l-xylulose in humans with pentosuria and have shown that aminopyrine, metyrapone and other xenobiotics cause an almost instantaneous increase in the conversion of UDP-glucuronic acid to glucuronic acid. It is usually stated that glucuronic acid formation from UDP-glucuronic acid is the result of two successive reactions comprising the hydrolysis of UDP-glucuronic acid to glucuronic acid 1-phosphate and UMP by nucleotide pyrophosphatase (E-NPP3, EC 3.6.1.9), followed by dephosphorylation of glucuronic acid 1-phosphate. Glucuronidation is responsible for conjugating potentially toxic lipophilic compounds with glucuronic acid, thereby producing molecules with greater aqueous solubility that is excreted more readily into urine and bile. The rate at which any compound may be glucuronidated depends on the concentration and activity of the UDP-glucuronosyltransferases as well as the concentration of the cofactor UDP-glucuronic acid. UDP-glucuronic acid is formed after oxidation of UDP-glucose by UDP-glucose dehydrogenase (UGDH, EC 1.1.1.22) with NAD as the electron acceptor. UDP-glucuronic acid may then be either used as the glucuronic acid donor for xenobiotic conjugation reactions by UDPglucuronosyltransferases (GlcAT-P, EC 2.4.1.17), or degraded to D-glucuronic acid 1-phosphate after the phosphodiester bond is cleaved by E-NPP3. E-NPP3 is the same enzyme that further reduces D-Glucuronic acid 1-phosphate to free D-glucuronic acid. Decreases in UDP-glucuronic acid concentration may be due to reduced availability of UDP-glucose or decreased UGDH activity or to increased activities of GlcAT-P or E-NPP3. Exposure to volatile anesthetics reduces hepatic UDP-glucuronic acid concentrations, and alters the rate of conjugation of compounds such as acetaminophen, bilirubin, diethylstilbestrol, iopanoic acid and valproic acid in a non-sex-dependent fashion in experimental mice. The depletion of UDP-glucuronic acid by anesthetics is caused by altered activity of microsomal E-NPP3. (PMID: 2167093, 16689937, 1276) [HMDB] D-Glucuronic acid 1-phosphate is an end product of the UDP-glucuronic acid pathway. Formation of free glucuronic acid from UDP-glucuronic acid can be considered as the first step in the synthesis of vitamin C, a pathway that occurs in most vertebrates, although not in guinea pigs and primates, including humans. Free glucuronic acid can also be converted to pentose phosphate intermediates via the pentose pathway. The latter is interrupted in subjects with pentosuria, who have a deficiency in l-xylulose reductase (EC 1.1.1.10, an enzyme that belongs to the short-chain dehydrogenase/reductase family) and excrete abnormal amounts of l-xylulose. Some xenobiotics stimulate the formation of vitamin C in animals and enhance the excretion of l-xylulose in humans with pentosuria and have shown that aminopyrine, metyrapone and other xenobiotics cause an almost instantaneous increase in the conversion of UDP-glucuronic acid to glucuronic acid. It is usually stated that glucuronic acid formation from UDP-glucuronic acid is the result of two successive reactions comprising the hydrolysis of UDP-glucuronic acid to glucuronic acid 1-phosphate and UMP by nucleotide pyrophosphatase (E-NPP3, EC 3.6.1.9), followed by dephosphorylation of glucuronic acid 1-phosphate. Glucuronidation is responsible for conjugating potentially toxic lipophilic compounds with glucuronic acid, thereby producing molecules with greater aqueous solubility that is excreted more readily into urine and bile. The rate at which any compound may be glucuronidated depends on the concentration and activity of the UDP-glucuronosyltransferases as well as the concentration of the cofactor UDP-glucuronic acid. UDP-glucuronic acid is formed after oxidation of UDP-glucose by UDP-glucose dehydrogenase (UGDH, EC 1.1.1.22) with NAD as the electron acceptor. UDP-glucuronic acid may then be either used as the glucuronic acid donor for xenobiotic conjugation reactions by UDPglucuronosyltransferases (GlcAT-P, EC 2.4.1.17), or degraded to D-glucuronic acid 1-phosphate after the phosphodiester bond is cleaved by E-NPP3. E-NPP3 is the same enzyme that further reduces D-Glucuronic acid 1-phosphate to free D-glucuronic acid. Decreases in UDP-glucuronic acid concentration may be due to reduced availability of UDP-glucose or decreased UGDH activity or to increased activities of GlcAT-P or E-NPP3. Exposure to volatile anesthetics reduces hepatic UDP-glucuronic acid concentrations, and alters the rate of conjugation of compounds such as acetaminophen, bilirubin, diethylstilbestrol, iopanoic acid and valproic acid in a non-sex-dependent fashion in experimental mice. The depletion of UDP-glucuronic acid by anesthetics is caused by altered activity of microsomal E-NPP3. (PMID: 2167093, 16689937, 1276).
(-)-Epiafzelechin
(-)-Epiafzelechin is found in fruits. (-)-Epiafzelechin is a constituent of Actinidia chinensis (kiwi fruit) and Juniperus communis (juniper) Constituent of Actinidia chinensis (kiwi fruit) and Juniperus communis (juniper). (-)-Epiafzelechin is found in kiwi, tea, and fruits.
1,3,6-Trihydroxy-5-methoxyxanthone
1,3,6-Trihydroxy-5-methoxyxanthone is a member of xanthones. 1,3,6-Trihydroxy-5-methoxyxanthone is a natural product found in Hypericum chinense, Canscora alata, and other organisms with data available. 1,3,6-Trihydroxy-5-methoxyxanthone is found in fruits. 1,3,6-Trihydroxy-5-methoxyxanthone is a constituent of Garcinia dulcis (mundu). Constituent of Garcinia dulcis (mundu). 1,3,6-Trihydroxy-5-methoxyxanthone is found in fruits.
modafinil acid
modafinil acid is a metabolite of modafinil. Modafinil is an analeptic drug invented in France by Lafon Laboratories and originally developed by neurophysiologist and emeritus experimental medicine professor Michel Jouvet. It is approved by the United States Food and Drug Administration (FDA) for the treatment of narcolepsy, shift work sleep disorder and excessive daytime sleepiness associated with obstructive sleep apnea. (Wikipedia)
(Z)-4-Methoxy-3,3',5,5'-tetrahydroxystilbene
(Z)-4-Methoxy-3,3,5,5-tetrahydroxystilbene is found in fruits. (Z)-4-Methoxy-3,3,5,5-tetrahydroxystilbene is isolated from Phoenix dactylifera (date). Isolated from Phoenix dactylifera (date). (Z)-4-Methoxy-3,3,5,5-tetrahydroxystilbene is found in fruits.
BR-Xanthone B
Constituent of the dry fruit hulls of Garcinia mangostana (mangosteen). BR-Xanthone B is found in fruits and purple mangosteen. BR-Xanthone B is found in fruits. BR-Xanthone B is a constituent of the dry fruit hulls of Garcinia mangostana (mangosteen).
2,3-Epoxysesamone
2,3-Epoxysesamone is found in fats and oils. 2,3-Epoxysesamone is a constituent of Sesamum indicum (sesame). Constituent of Sesamum indicum (sesame). 2,3-Epoxysesamone is found in fats and oils.
4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is found in fruits. 4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is a constituent of banana (Musa acuminata). Constituent of banana (Musa acuminata). 4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is found in fruits.
11-Methoxynoryangonin
11-Methoxynoryangonin is found in fruits. 11-Methoxynoryangonin is isolated from a Piper sp. from New Guine
11-Hydroxyyangonin
11-Hydroxyyangonin is found in beverages. 11-Hydroxyyangonin is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
Hydroxysesamone
Hydroxysesamone is found in fats and oils. Hydroxysesamone is a constituent of the roots of Sesamum indicum (sesame). Constituent of the roots of Sesamum indicum (sesame). Hydroxysesamone is found in fats and oils.
Ferulic acid 4-sulfate
Ferulic acid 4-O-sulfate (CAS: 86321-29-1) is a phenolic acid metabolite. It is also a coffee metabolite found in blood or urine. Ferulic acid 4-O-sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Wyerone epoxide
Wyerone epoxide is found in broad bean. Wyerone epoxide is a constituent of broad bean Vicia faba seedlings infected with Botrytis species Constituent of broad bean Vicia faba seedlings infected with Botrytis subspecies Wyerone epoxide is found in pulses and broad bean.
Alloathyriol
Alloathyriol is found in fruits. Alloathyriol is a constituent of Garcinia dulcis (mundu). Constituent of Garcinia dulcis (mundu). Alloathyriol is found in fruits.
Hemigossypolone
Hemigossypolone is found in fats and oils. Hemigossypolone is a constituent of Gossypium hirsutum (cotton)
3-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol
cis,trans-5'-Hydroxythalidomide
cis,trans-5-Hydroxythalidomide is only found in individuals that have used or taken Thalidomide. cis,trans-5-Hydroxythalidomide is a metabolite of Thalidomide. Cis,trans-5-hydroxythalidomide belongs to the family of Isoindolones. These are aromatic polycyclic compounds that contain an isolindole bearing a ketone.
5-Hydroxythalidomide
5-Hydroxythalidomide is only found in individuals that have used or taken Thalidomide. 5-Hydroxythalidomide is a metabolite of Thalidomide. 5-hydroxythalidomide belongs to the family of Isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.
Thalidomide arene oxide
Thalidomide arene oxide is a metabolic intermediate of thalidomide which subsequently converts to 5-hydroxythalidomide. It belongs to the family of Isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.
Afzelechin
Afzelechin is a flavan-3-ol, a type of flavonoid. It exists as at least 2 major epimers (afzelechin and epi-afzelechin). It is produced through the transformation of cis-3,4lecuopelargonidin through the action of (2R,3S)-catechin:NADP+ 4-oxidoreductase. Afzelechin can be found in many plants native to Asia such as: Astilbe rivularis (also known as waterside astilbe), Bergenia ligulate (also known as Paashaanbhed in Ayurveda traditional Indian medicine), and Wisteria floribunda (Japanese wisteria). Afzelechin also occurs in barley and rye as a member of the proanthocyanidins found in these crop plants. Afzelechin exhibits moderate inhibitory effects on tumor necrosis factor alpha (TNF-α) induced nuclear factor kappa-B (NF-kB) activation in HepG2 cells (PMID: 21985227). Afzelechin is only found in individuals who have consumed barley/rye or taken certain herbal medicines containing this compound.
3'-Hydroxy-O-desmethylangolensin
3-Hydroxy-O-desmethylangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Isoferulic acid 3-sulfate
Isoferulic acid 3-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate
4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate is a conjugate of 4-hydroxy-5-(phenyl)-valeric acid and sulphate.
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-sulfooxyoxane-2-carboxylic acid
Heptulose
Heptulose-2-phosphate, also known as 1-deoxygluco-heptulose 2-phosphate, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Heptulose-2-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Heptulose-2-phosphate can be found in garden tomato (variety) and sweet orange, which makes heptulose-2-phosphate a potential biomarker for the consumption of these food products. .
Ensulizole
C1892 - Chemopreventive Agent > C851 - Sunscreen CONFIDENCE standard compound; INTERNAL_ID 2859 CONFIDENCE standard compound; INTERNAL_ID 8787 CONFIDENCE standard compound; INTERNAL_ID 8238 CONFIDENCE standard compound; INTERNAL_ID 4172
N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide
ethyl 5-sulfanyl[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
Prop-2-ynyl N-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]carbamate
dimethyl 5-sulphoisophthalate
CONFIDENCE standard compound; INTERNAL_ID 2311
5-methyl-[5-4(4-acetoxy-1-butynyl)]-2,2-bisthiophene
(2Z)-4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-phenyl-1H-pyridine
Montixanthone
Montixanthone is a natural product found in Hypericum beanii with data available.
(1R,6R,9S,10S)-9-Chloro-10-hydroxy-8-methoxycarbonyl-4-methylene-2,5-dioxabicyclo<4.4.0>dec-3-one-7-ene|(1R,6R,9S,10S)-9-Chloro-10-hydroxy-8-methoxycarbonyl-4-methylene-2,5-dioxabicyclo[4.4.0]dec-3-one-7-ene
5,8,10-Trihydroxy-2-methyl-2H-naphtho[2,3-b]pyran-6,9-dione
3-(1-beta-D-Glucopyranosyloxy)-6-oxo-1H.6H-pyridazin|3-beta-D-Glucosyloxy-pyridaz-6-on|6-beta-D-glucopyranosyloxy-2H-pyridazin-3-one|maleic hydrazide-O-beta-D-glucoside
AI3-52581
L-canavanine sulfate is an organic sulfate salt obtained by combining L-canavanine with one molar equivalent of sulfuric acid. It has a role as a plant metabolite. It contains a L-canavanine(1+). An organic sulfate salt obtained by combining L-canavanine with one molar equivalent of sulfuric acid. L-Canavanine sulfate is a selective inhibitor of inducible NO synthase. L-Canavanine sulfate is a selective inhibitor of inducible NO synthase.
Erigeroside
Erigeroside is a natural product found in Erigeron breviscapus, Campylanthus salsoloides, and other organisms with data available.
Isobellidifolin
Isobellidifolin is a natural product found in Gentiana orbicularis, Gentianella florida, and other organisms with data available.
Phenylbenzimidazole sulfonic acid
CONFIDENCE Reference Standard (Level 1)
5-methoxyuridine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.057 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 5-Methoxyuridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
5-methyl-2-thiouridine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.235 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.233 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.232
2,3,6,8-tetrahydroxy-1-methylxanthen-9-one
1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea
5-Hydroxymethyluridine
5-Hydroxymethyl uridine is a thymidine analogue. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].
5-chloro-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Ferulic acid 4-sulfate
A member of the class of cinnamic acids that is ferulic acid in which the phenolic hydrogen has been replaced by a sulfo group.
cis,trans-5-Hydroxythalidomide
4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
2-chloro-N-(4-(trifluoromethyl)pyridin-2-yl)pyrimidin-4-amine
Benzeneacetic acid, a-chloro-a-phenyl-, ethyl ester
1-((4-BROMOTHIOPHEN-2-YL)METHYL)-4-METHYLPIPERAZINE
2-Thiophenecarboxamide,N-(6-methyl-2-benzothiazolyl)-
Pyrimido[4,5-g]quinazoline-4,9-dione,1,6-dihydro-5,10-dihydroxy-2,7-dimethyl- (9CI)
2-BROMO-5-FLUORO-BENZENEPROPANOIC ACID ETHYL ESTER
(4-Chlorophenyl)[4-(1-methylethoxy)phenyl]methanone(Fenofibrate Impurity)
1H-Benzimidazole,2-[[(4-chlorophenyl)methyl]thio]-
2-(2,5-dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-4-methylsulfanyl-butyric acid
(4,5-DIPHENYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETICACIDHYDRAZIDE
2,4-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
((6R,9AS)-OCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZIN-6-YL)METHANOL
METHYL 6-FLUORO-3-FORMYL-2-HYDROXY-[1,1-BIPHENYL]-3-CARBOXYLATE
1,8-Diphosphonooctane,1,8-octanediylbis-phosphonic acid,C8BPA
1-(4-chlorobenzenesulfonyl)-3,3-dimethylbutane-2-one
(4-FLUORO-BENZYL)-PYRIDIN-2-YL-AMINE DIHYDROCHLORIDE
Benzenesulfonic acid,4-methyl-, 2-(phenylmethylene)hydrazide
4-AMINO-ALPHA-TERT-BUTYLAMINE-3,5-DICHLOROACETOPHENONE
Famotidine Acid Methyl Ester Hydrochloride Salt
Flufenisal
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(4-AMINOPHENYL)[4-(2-METHOXYPHENYL)PIPERAZINO]METHANONE
2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
ETHYL5-BROMO-1-TERT-BUTYL-1H-PYRAZOLE-4-CARBOXYLATE
3-(4-CHLORO-PHENYL)-3-HYDROXY-2-METHYL-1-PHENYL-PROPAN-1-ONE
4-(CHLOROMETHYL)-N-(4-METHYLPHENYL)-1,3-THIAZOL-2-AMINE HYDROCHLORIDE
6,8-DICHLORO-CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER
2-(Methyl(phenyl)amino)-4H-thieno[3,2-d][1,3]thiazin-4-one
6-(4-METHYLPHENYLTHIO)IMIDAZO[2,1-B]THIAZOLE-5-CARBOXALDEHYDE
4-(4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid
(7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)(4-BROMOPHENYL)METHANONE
4-Chloro-5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidine
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine dihydrochloride
N-[(m-Nitrophenyl)sulfonyl]carbamic acid ethyl ester
2-chloro-6-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-3-carbonitrile
2-(2-(4-Chlorophenyl)thiazol-4-yl)ethanamine hydrochloride
4-chloro-6-(4-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidine
5-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)FURAN-2-CARBALDEHYDE
1H-Indene-1,3(2H)-dione,2-(2,3-dihydro-3-oxo-1H-inden-1-ylidene)-
3-CHLORO-3-(2-FLUORO[1,1-BIPHENYL]-4-YL)-2-METHYLACRYLALDEHYDE
3-(BICYCLO[2.2.1]HEPT-5-EN-2-YL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)PROPAN-2-OL
2-[4-(2-chlorophenyl)phenyl]-2-methyl-propanoic acid
2-(2,4-Dichlorophenyl)-2-methyl-4-propyl-1,3-dioxolane
(2-PHENYL-4-THIOPHEN-2-YL-THIAZOL-5-YL)-ACETICACID
Thiocarbonic acid O-[(4-methoxyphenyl)methyl]S-phenyl ester
methyl 4-chlorosulfonyl-2,3-dihydro-1H-indene-2-carboxylate
3-Bromo-6-methyl-2-oxo-1(2H)-pyrazineacetic acid ethyl ester
2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER
1-(5-Chloro-2-hydroxyphenyl)-3-phenyl-1,3-propanedione
3-trifluoromethyl-1-phenyl-1H-5-chloropyrazole-4-carbaldehyde
benzyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
2-benzylsulfanyl-7-hydroxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
6-(2-methoxyphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
METHYL 5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-2-FUROATE
(2-fluoro-4-phenylmethoxycarbonylphenyl)boronic acid
4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOYL CHLORIDE
1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindoline-1,3-dione
Nickel,bis(2,4-pentanedionato-kO,kO)-, hydrate, (SP-4-1)- (9CI)
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-3-(1-methylethyl)-, ethyl ester
2-(Bromodifluoromethyl)-1-phenyl-4,5-dihydro-1H-imidazole
5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)FURAN-2-CARBALDEHYDE
5-Bromo-1-isopropyl-1H-benzo[d]imidazole hydrochloride
6-[(2-HYDROXYETHYL)THIO]-1H,3H-NAPHTHO[1,8-CD]PYRAN-1,3-DIONE
5-Bromo-1-propyl-1H-benzo[d]imidazole hydrochloride
TERT-BUTYL 4-BROMO-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE
3-(2-Chloroactyl)-2-[(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide
Flutemetamol F-18
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019275 - Radiopharmaceuticals V - Various > V09 - Diagnostic radiopharmaceuticals > V09A - Central nervous system C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
Flutemetamol
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019275 - Radiopharmaceuticals
2,6-Anhydro-1-deoxy-1-phosphono-D-glycero-D-gulo-heptitol
N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
5-(4-Methoxyphenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
2-(1H-benzimidazol-2-ylthio)-1-thiophen-2-ylethanone
(E)-3-(3,5-dichlorophenyl)-2-pyridin-3-ylprop-2-enenitrile
D000970 - Antineoplastic Agents > D020032 - Tyrphostins
3-Amino-5-(4-bromophenyl)-4-pyridazinecarbonitrile
3-benzyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
2-[[(4-Chlorophenyl)thio]methyl]imidazo[1,2-a]pyridine
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
2-Keto-6-phosphate-D-gluconic acid, alpha-furanose form
Antisacer
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D065693 - Cytochrome P-450 Enzyme Inducers > D065694 - Cytochrome P-450 CYP1A2 Inducers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
Bellidofolin
Bellidifolin is a xanthone isolated from the stems of Swertia punicea, with hepatoprotective, hypoglycemic, anti-oxidation, anti-inflammatory and antitumor activities[1][2][3]. Bellidifolin also acts as a viral protein R (Vpr) inhibitor[4]. Bellidifolin is a xanthone isolated from the stems of Swertia punicea, with hepatoprotective, hypoglycemic, anti-oxidation, anti-inflammatory and antitumor activities[1][2][3]. Bellidifolin also acts as a viral protein R (Vpr) inhibitor[4].
1-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
(2,3,4,5-Tetrahydroxy-6-oxoheptyl) dihydrogen phosphate
1-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methoxypyrimidine-2,4(1H,3H)-dione
3-dehydro-L-gulonic acid 6-phosphate
A ketoaldonic acid derivative that is the 6-(dihydrogen phosphate) derivative of 3-dehydro-L-gulonic acid.
(2S)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}pentanedioate
2-[4-(methylthio)butyl]-sulfinylhydroximate-O-sulfate
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-sulfooxyoxane-2-carboxylic acid
4-Fluorobenzaldehyde N-(3-pyridinyl)thiosemicarbazone
D-Glucuronic acid 1-phosphate
A uronic acid phosphate consisting of D-glucuronic acid having a phosphate group attached at the 1-position.
N-(2-chloropyridin-3-yl)-3-oxo-3-phenylpropanamide
2-Fluorobenzoic acid (4-methoxycarbonylphenyl) ester
2-(4-Chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
N-[4-[(2-furanylmethylamino)-sulfanylidenemethyl]phenyl]acetamide
[2,6-Dihydroxy-3-(3-methylbut-2-enyl)phenyl] hydrogen sulate
2-(2,4-Dihydroxy-6-oxidobenzoyl)-5-hydroxy-3-methylbenzenolate
Bellidifolin
Bellidifolin is a member of the xanthone family that is bellidin substituted with a methyl group at O-3. A natural product found particularly in Swertia chirata and Gentianella campestris. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a hypoglycemic agent and a metabolite. It is a member of xanthones and a polyphenol. It is functionally related to a bellidin. Bellidifolin is a natural product found in Gentiana orbicularis, Gentianella amarella, and other organisms with data available. A member of the xanthone family that is bellidin substituted with a methyl group at O-3. A natural product found particularly in Swertia chirata and Gentianella campestris. Bellidifolin is a xanthone isolated from the stems of Swertia punicea, with hepatoprotective, hypoglycemic, anti-oxidation, anti-inflammatory and antitumor activities[1][2][3]. Bellidifolin also acts as a viral protein R (Vpr) inhibitor[4]. Bellidifolin is a xanthone isolated from the stems of Swertia punicea, with hepatoprotective, hypoglycemic, anti-oxidation, anti-inflammatory and antitumor activities[1][2][3]. Bellidifolin also acts as a viral protein R (Vpr) inhibitor[4].
Disulfaton
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
4-Ketocyclophosphamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
α-D-Glucuronic acid-1-phosphate
The 1-O-phospho derivative of alpha-D-glucuronic acid.
1-phospho-alpha-D-galacturonic acid
An uronic acid phosphate that is alpha-D-galacturonic acid carrying a phosphate group at position 1.
gamma-Glu-Glu(2-)
A peptide anion obtained by removal of protons from the three carboxy groups as well as protonation of the amino group of gamma-Glu-Glu; major species at pH 7.3.
4-Ketoifosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
D-Glucuronate 1-phosphate
A carbohydrate acid derivative anion arising from selective deprotonation of the carboxy function of D-glucuronic acid 1-phosphate.
[(2r,3r,4r,5s)-2,3,4,5-tetrahydroxy-6-oxoheptyl]oxyphosphonic acid
5,7-dihydroxy-1-(1-hydroxyethyl)naphtho[2,3-c]furan-4,9-dione
6-{5'-methyl-[2,2'-bithiophen]-5-yl}hex-5-yn-2-one
(2,3,4,5-tetrahydroxy-6-oxoheptyl)oxyphosphonic acid
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-4-one
6-hydroxy-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridazin-3-one
5-{2,5-dihydroxy-3h-imidazo[4,5-b]pyridin-6-yl}-6-hydroxypyridine-2,3-dione
(2s)-2-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}-2-hydroxyethyl acetate
6,8-dihydroxy-7-methoxy-1-methylnaphtho[2,3-c]furan-4,9-dione
1,3,5-trihydroxy-2-methoxyxanthone
{"Ingredient_id": "HBIN001065","Ingredient_name": "1,3,5-trihydroxy-2-methoxyxanthone","Alias": "NA","Ingredient_formula": "C14H10O6","Ingredient_Smile": "COC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21774","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,3,7-trihydroxyl-8-methoxyxanthone
{"Ingredient_id": "HBIN001114","Ingredient_name": "1,3,7-trihydroxyl-8-methoxyxanthone","Alias": "NA","Ingredient_formula": "C14H10O6","Ingredient_Smile": "COC1=C2C(=CC(=C1)O)C(=O)C3=C(C=C(C=C3O2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21746","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,3,8-trihydroxy-5-methoxy xanthones
{"Ingredient_id": "HBIN001121","Ingredient_name": "1,3,8-trihydroxy-5-methoxy xanthones","Alias": "NA","Ingredient_formula": "C14H10O6","Ingredient_Smile": "COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C(C=C3O2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "43029","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bellidifodin
{"Ingredient_id": "HBIN017727","Ingredient_name": "bellidifodin","Alias": "NA","Ingredient_formula": "C14H10O6","Ingredient_Smile": "COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2220","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
