Exact Mass: 224.0909362

Exact Mass Matches: 224.0909362

Found 500 metabolites which its exact mass value is equals to given mass value 224.0909362, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Flavanone

2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

C15H12O2 (224.0837252)


Flavonoids (or bioflavonoids) (from the Latin word flavus meaning yellow), also collectively known as Vitamin P and citrin, are a class of plant secondary metabolites or yellow pigments having a structure similar to that of flavones. Flavonoids is found in many foods, some of which are blackcurrant, wild celery, rose hip, and turmeric. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1]. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1].

   

3-Hydroxyl kyneurenine

2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

C10H12N2O4 (224.0797032)


Hydroxykynurenine is a free radical generator and a bioprecursor quinolinic acid which is a endogenous excitotoxin (PMID 16697652). It is a product of enzyme kynurenine 3-monooxygenase in the tryptophan catabolism pathway (Reactome http://www.reactome.org). [HMDB] Hydroxykynurenine is a free radical generator and a bioprecursor quinolinic acid which is a endogenous excitotoxin (PMID 16697652). It is a product of enzyme kynurenine 3-monooxygenase in the tryptophan catabolism pathway (Reactome http://www.reactome.org). Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA12_3-OH-kynurenine_pos_20eV_1-4_01_802.txt [Raw Data] CBA12_3-OH-kynurenine_pos_10eV_1-4_01_801.txt [Raw Data] CBA12_3-OH-kynurenine_pos_50eV_1-4_01_805.txt [Raw Data] CBA12_3-OH-kynurenine_pos_40eV_1-4_01_804.txt [Raw Data] CBA12_3-OH-kynurenine_pos_30eV_1-4_01_803.txt C26170 - Protective Agent > C275 - Antioxidant KEIO_ID H050; [MS3] KO009001 KEIO_ID H050; [MS2] KO009000 KEIO_ID H050

   

Stavudine

1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

C10H12N2O4 (224.07970319999998)


Stavudine is only found in individuals that have used or taken this drug. It is a dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV. [PubChem]Stavudine inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Stavudine (d4T) is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Stavudine has activity against HIV-1 and HIV-2. Stavudine also inhibits the replication of mitochondrial DNA (mtDNA). Stavudine reduces NLRP3 inflammasome activation and modulates Amyloid-β autophagy. Stavudine induces apoptosis[1][2][3][4].

   

2-Hydroxychalcone

2-Propen-1-one,1-(2-hydroxyphenyl)-3-phenyl-, (2E)-

C15H12O2 (224.0837252)


   

4-Hydroxychalcone

1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one

C15H12O2 (224.0837252)


4'-Hydroxychalcone is a chalcone isolated from licorice root, with hepatoprotective activity. 4'-Hydroxychalcone inhibits TNFα-induced NF-κB activation via proteasome inhibition. 4'-Hydroxychalcone induces a rapid potassium release from mitochondrial vesicles and causes deterioration of respiratory control and oxidative phosphorylation of isolated rat liver mitochondria[1][2][3].

   

Isoflavanone

2,3-dihydro-3-Phenyl-4H-1-benzopyran-4-one

C15H12O2 (224.0837252)


   

5-Hydroxykynurenine

2-Amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid

C10H12N2O4 (224.07970319999998)


5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28]. [HMDB] 5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28].

   

Aspidinol

1-(2,6-dihydroxy-4-methoxy-3-methyl-phenyl)butan-1-one

C12H16O4 (224.10485359999998)


   

4-Hydroxychalcone

(2Z)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one

C15H12O2 (224.0837252)


4-Hydroxychalcone is found in herbs and spices. 4-Hydroxychalcone is a constituent of Glycyrrhiza glabra (licorice) roots 4-Hydroxychalcone is a chalcone metabolite with anti-angiogenic and anti-inflammatory activities. 4-Hydroxychalcone suppresses angiogenesis by suppression of growth factor pathway with no signs of cytotoxicity[1]. 4-Hydroxychalcone inhibits TNF-α induced NF-κB pathway activation and activates BMP signaling, reduces resistant hypertension (RH) by attenuating hyperaldosteronism and renal injury in mice[2].

   

1-Methoxy-2-hydroxyanthracene

1-Methoxy-2-hydroxyanthracene

C15H12O2 (224.0837252)


   

Olivetolic acid

2,4-Dihydroxy-6-pentylbenzoic acid

C12H16O4 (224.10485359999998)


A member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

L-3-Hydroxykynurenine

(2S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

C10H12N2O4 (224.07970319999998)


L-3-Hydroxykynurenine (L-3-HK) is a metabolite in the kynurenine pathway, the major route of tryptophan degradation in mammals. Kynurenine 3-monooxygenase, an NADPH-dependent flavin monooxygenase, catalyses the hydroxylation of L-kynurenine to L-3-hydroxykynurenine. 3-hydroxykynurenine can be converted to 3-hydroxyanthranilate by the enzyme 3-hydroxykinureninase. It may also be converted to 4-(2-amino-3-hydroxphenyl)-2,4-dioxobutanoate by the enzyme kynurenine-oxoglutarate transaminase. L-3-Hydroxykynurenine (L-3-HK) is a known generator of highly reactive free radicals. An elevation of L-3-HK levels has been shown to constitute a significant hazard in situations of excitotoxic injury. In particular, L-3-HK may contribute to the neuronal deficits underlying HIV-associated dementia (PMID: 7830088). Pharmacological interventions aimed at decreasing L-3-HK formation may therefore be particularly useful for the treatment of neurological diseases which are associated with an abnormally enhanced flux through the kynurenine pathway (PMID: 10583474) [HMDB] L-3-Hydroxykynurenine (L-3-HK) is a metabolite in the kynurenine pathway, the major route of tryptophan degradation in mammals. Kynurenine 3-monooxygenase, an NADPH-dependent flavin monooxygenase, catalyses the hydroxylation of L-kynurenine to L-3-hydroxykynurenine. 3-hydroxykynurenine can be converted to 3-hydroxyanthranilate by the enzyme 3-hydroxykinureninase. It may also be converted to 4-(2-amino-3-hydroxphenyl)-2,4-dioxobutanoate by the enzyme kynurenine-oxoglutarate transaminase. L-3-Hydroxykynurenine (L-3-HK) is a known generator of highly reactive free radicals. An elevation of L-3-HK levels has been shown to constitute a significant hazard in situations of excitotoxic injury. In particular, L-3-HK may contribute to the neuronal deficits underlying HIV-associated dementia (PMID: 7830088). Pharmacological interventions aimed at decreasing L-3-HK formation may therefore be particularly useful for the treatment of neurological diseases which are associated with an abnormally enhanced flux through the kynurenine pathway (PMID: 10583474).

   

Flavanone

(2S)-Flavanone

C15H12O2 (224.0837252)


Annotation level-1 Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1]. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1].

   
   

Flavanone

Propafenone Hydrochloride Imp. H (EP); Propafenone Imp. H (EP); (2RS)-2-Phenyl-2,3-dihydro-4H-1-benzopyran-4-one; Propafenone Hydrochloride Impurity H; Propafenone Impurity H

C15H12O2 (224.0837252)


Flavanone is the simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. It derives from a hydride of a flavan. Flavanone is a natural product found in Annona muricata, Ginkgo biloba, and other organisms with data available. The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1]. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1].

   

Dhelwangin

4-Hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-2H-pyran-2-one, 9CI

C12H16O4 (224.10485359999998)


Dhelwangin is an aromatic ketone. Dhelwangin is a natural product found in Pogostemon cablin with data available. Dhelwangin is found in herbs and spices. Dhelwangin is isolated from leaves of Pogostemon cablin (patchouli Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2]. Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2].

   

Diplosporin

6-Ethyl-5,6,7,8-tetrahydro-5-hydroxy-3-(hydroxymethyl)-4H-1-benzopyran-4-one, 9ci

C12H16O4 (224.10485359999998)


Epi-diplosporin is a metabolite of Diplodia macrospora isolated from infected maize. Metabolite of Diplodia macrospora isolated from infected maize

   

3',4',5'-Trimethoxycinnamyl alcohol

(2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol

C12H16O4 (224.10485359999998)


3,4,5-Trimethoxycinnamyl alcohol is found in herbs and spices. 3,4,5-Trimethoxycinnamyl alcohol is a constituent of Myristica fragrans (nutmeg) and other plant species. Constituent of Myristica fragrans (nutmeg) and other plant subspecies 3,4,5-Trimethoxycinnamyl alcohol is found in herbs and spices.

   

N-Methoxy-1-vinyl-beta-carboline

1-ethenyl-9-methoxy-9H-pyrido[3,4-b]indole

C14H12N2O (224.09495819999998)


N-Methoxy-1-vinyl-beta-carboline is an alkaloid from Picrasma excelsa (Jamaican quassiawood

   

Isoacoramone

1-(2,4,5-trimethoxyphenyl)propan-1-one

C12H16O4 (224.10485359999998)


Constituent of Acorus calamus (sweet flag). Isoacoramone is found in herbs and spices and root vegetables. Isoacoramone is found in herbs and spices. Isoacoramone is a constituent of Acorus calamus (sweet flag).

   

Temurin

1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

C9H12N4O3 (224.0909362)


Temurin is a methyl derivative of uric acid, found occasionally in human urine. Temurin is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. (PMID: 11712316, 15833286, 3506820, 15013152). Isolated from tea

   

Acoramone

1-(2,4,5-Trimethoxyphenyl)-2-propanone, 9ci

C12H16O4 (224.10485359999998)


Acoramone is found in herbs and spices. Acoramone is a constituent of the oil of Acorus calamus (sweet flag)

   

L-Nicotianine

1-(3-amino-3-carboxypropyl)pyridin-1-ium-3-carboxylate

C10H12N2O4 (224.07970319999998)


L-Nicotianine is found in mushrooms. L-Nicotianine is a constituent of Lentinus edodes (shiitake)

   

Vanillin 1,2-butylene glycol acetal

4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol

C12H16O4 (224.10485359999998)


Vanillin 1,2-butylene glycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, 9ci

C12H16O4 (224.10485359999998)


2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol is present in food as an artifact arising from reaction of BKR94-M flavouring and 1,2-Propanediol DFN63-V solven Present in food as an artifact arising from reaction of BKR94-M flavouring and 1,2-Propanediol DFN63-V solvent

   

6-[(1Z,2Z)-3-Hydroxy-3-phenyl-2-propene-1-ylidene]-2,4-cyclohexadiene-1-one

6-[(1Z,2Z)-3-Hydroxy-3-phenyl-2-propene-1-ylidene]-2,4-cyclohexadiene-1-one

C15H12O2 (224.0837252)


   

2,6-Diamino-9-(2-hydroxyethoxymethyl)purine

2-[(2,6-diamino-9H-purin-9-yl)methoxy]ethan-1-ol

C8H12N6O2 (224.10216920000002)


   

8-(2-Hydroxyethyl)theophyline

8-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C9H12N4O3 (224.0909362)


   

9H-Fluoren-9-ylmethyl Formate

9H-Fluoren-9-ylmethyl formic acid

C15H12O2 (224.0837252)


   

Alongside

4-hydroxy-12-methyl-1-oxacyclododeca-5,9-diene-2,8-dione

C12H16O4 (224.10485359999998)


   

2,3-Diphenylacrylic acid

2,3-diphenylprop-2-enoic acid

C15H12O2 (224.0837252)


   

Pterocarpan

8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene

C15H12O2 (224.0837252)


   

Dibenzoylmethane

1,3-Diphenylpropane-1,3-dione

C15H12O2 (224.0837252)


Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1]. Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1].

   

Etofylline

7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C9H12N4O3 (224.0909362)


   

Phenylbenzylglyoxal

1,3-diphenylpropane-1,2-dione

C15H12O2 (224.0837252)


   

senkyunolide I

3-butylidene-6,7-dihydroxy-1,3,4,5,6,7-hexahydro-2-benzofuran-1-one

C12H16O4 (224.10485359999998)


   

56W6M8HQ2G

1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7S)-rel-

C12H16O4 (224.10485359999998)


Senkyunolide h is a member of 2-benzofurans. (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1]. Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1].

   

12PJ07292V

1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-4,5,6,7-TETRAHYDRO-6,7-DIHYDROXY-, (3Z,6.ALPHA.,7.BETA.)-

C12H16O4 (224.10485359999998)


1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7R)-rel- is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. See also: Angelica sinensis root oil (part of). Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2]. Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2].

   
   
   
   
   

1,6-Dihydroxy-8-methoxy-3,5-dimethylisochroman

1,6-Dihydroxy-8-methoxy-3,5-dimethylisochroman

C12H16O4 (224.10485359999998)


   

2,3,6-Trimethoxy-5-(1E)-1-propenylphenol

2,3,6-Trimethoxy-5-(1E)-1-propenylphenol

C12H16O4 (224.10485359999998)


   

3-Ethoxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone

3-Ethoxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone

C12H16O4 (224.10485359999998)


   
   
   

Isoflavanone

Isoflavanone

C15H12O2 (224.0837252)


Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond.

   

2-Hydroxy-4-(2-hydroxyethoxy)-2-methylpropiophenone

2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methylpropan-1-one

C12H16O4 (224.10485359999998)


   

Dibenzoylmethane

Dibenzoylmethane 1,3-Diphenyl-1,3-propanedione

C15H12O2 (224.0837252)


Dibenzoylmethane is a beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. It has a role as an antineoplastic agent, a metabolite and an antimutagen. It is a beta-diketone and an aromatic ketone. Dibenzoylmethane is a natural product found in Acca sellowiana with data available. A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1]. Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1].

   

7-(2-Hydroxyethyl)theophylline

7-(2-Hydroxyethyl)theophylline

C9H12N4O3 (224.0909362)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)

   
   

(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol

(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol

C12H16O4 (224.10485359999998)


   
   

1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methyl-1-propanone

1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methyl-1-propanone

C12H16O4 (224.10485359999998)


   

(3R,4S)-3,4-dihydroxy-6-methoxy-2,2-dimethyl-chroman|trans-3,4-Dihydroxy-6-methoxy-2,2-dimethyl-chroman

(3R,4S)-3,4-dihydroxy-6-methoxy-2,2-dimethyl-chroman|trans-3,4-Dihydroxy-6-methoxy-2,2-dimethyl-chroman

C12H16O4 (224.10485359999998)


   

1,8-dihydroxy-6-methoxy-3,7-dimethylisochromane

1,8-dihydroxy-6-methoxy-3,7-dimethylisochromane

C12H16O4 (224.10485359999998)


   

(beta,beta-Dihydroxy-isopropyl)-beta-D-xylopyranosid|(beta,beta-dihydroxy-isopropyl)-beta-D-xylopyranoside|2-Desoxyglycer-2-yl-beta-D-xylopyranosid|2-O-beta-D-Xylopyranosylglycerin|<2-Hydroxy-1-hydroxymethyl-aethyl>-beta-D-xylopyranosid

(beta,beta-Dihydroxy-isopropyl)-beta-D-xylopyranosid|(beta,beta-dihydroxy-isopropyl)-beta-D-xylopyranoside|2-Desoxyglycer-2-yl-beta-D-xylopyranosid|2-O-beta-D-Xylopyranosylglycerin|<2-Hydroxy-1-hydroxymethyl-aethyl>-beta-D-xylopyranosid

C8H16O7 (224.0895986)


   

Et ester-6-Ethyl-2,4-dihydroxy-3-methylbenzoic acid

Et ester-6-Ethyl-2,4-dihydroxy-3-methylbenzoic acid

C12H16O4 (224.10485359999998)


   
   
   

4-Methyl-5-(1-methyl-2-formyloxypropyl)-resorcin|O2-Formyl-3-(3,5-Dihydroxy-2-methylphenyl)-2-butanol

4-Methyl-5-(1-methyl-2-formyloxypropyl)-resorcin|O2-Formyl-3-(3,5-Dihydroxy-2-methylphenyl)-2-butanol

C12H16O4 (224.10485359999998)


   

4-hydroxy-2,3,5-trimethoxyallylbenzene

4-hydroxy-2,3,5-trimethoxyallylbenzene

C12H16O4 (224.10485359999998)


   

1-(3,4,5-trimethoxyphenyl)propan-1-one

1-(3,4,5-trimethoxyphenyl)propan-1-one

C12H16O4 (224.10485359999998)


   
   

3-Methyl-2,4,6-trimethoxyacetophenone

3-Methyl-2,4,6-trimethoxyacetophenone

C12H16O4 (224.10485359999998)


   

4-(3,4-Dimethoxyphenyl)but-3-ene-1,2-diol

4-(3,4-Dimethoxyphenyl)but-3-ene-1,2-diol

C12H16O4 (224.10485359999998)


   

7-acetoxy-1-phenylhept-5E-ene-1,3-diyne|Ac-(E)-7-Phenyl-2-heptene-4,6-diyn-1-ol|Acetat des 1-Phenyl-hepten-(5)-trans-diin-(1.3)-ols-(7)|acetic acid-(7-phenyl-hept-2t-ene-4,6-diynyl ester)|Essigsaeure-(7-phenyl-hept-2t-en-4,6-diinylester)|trans-1-Phenyl-hepten-(5)-diin-(1,3)-yl-(7)-acetat

7-acetoxy-1-phenylhept-5E-ene-1,3-diyne|Ac-(E)-7-Phenyl-2-heptene-4,6-diyn-1-ol|Acetat des 1-Phenyl-hepten-(5)-trans-diin-(1.3)-ols-(7)|acetic acid-(7-phenyl-hept-2t-ene-4,6-diynyl ester)|Essigsaeure-(7-phenyl-hept-2t-en-4,6-diinylester)|trans-1-Phenyl-hepten-(5)-diin-(1,3)-yl-(7)-acetat

C15H12O2 (224.0837252)


   
   

4-butyryl-2,2-dimethyl-cyclohexane-1,3,5-trione

4-butyryl-2,2-dimethyl-cyclohexane-1,3,5-trione

C12H16O4 (224.10485359999998)


   

2-(2,4,5-Trimethoxyphenyl)-3-methyloxirane

2-(2,4,5-Trimethoxyphenyl)-3-methyloxirane

C12H16O4 (224.10485359999998)


   
   

ethyl 2-(3,4-dimethoxyphenyl)acetate

ethyl 2-(3,4-dimethoxyphenyl)acetate

C12H16O4 (224.10485359999998)


   

5-[5-[(R)-1-methoxyethyl]furan-2-yl]dihydrofuran-2(3H)-one

5-[5-[(R)-1-methoxyethyl]furan-2-yl]dihydrofuran-2(3H)-one

C12H16O4 (224.10485359999998)


   

(4R)-2,4-dimethyl-4-(1-acetyl-3-oxobutyl)-2-butenolide

(4R)-2,4-dimethyl-4-(1-acetyl-3-oxobutyl)-2-butenolide

C12H16O4 (224.10485359999998)


   
   

1-(2-hydroxy-4,6-dimethoxyphenyl)butan-1-one

1-(2-hydroxy-4,6-dimethoxyphenyl)butan-1-one

C12H16O4 (224.10485359999998)


   

2-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one

2-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one

C12H16O4 (224.10485359999998)


   

1,3-diphenyl-1,2-propanedione

1,3-diphenyl-1,2-propanedione

C15H12O2 (224.0837252)


   
   

butyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dienyl)acetate

butyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dienyl)acetate

C12H16O4 (224.10485359999998)


   
   

2,4-dimethoxy-6-propylbenzoic acid

2,4-dimethoxy-6-propylbenzoic acid

C12H16O4 (224.10485359999998)


   
   

7-methyl-2,6-phenanthrenediol

7-methyl-2,6-phenanthrenediol

C15H12O2 (224.0837252)


   

2,5-Dihydroxyphenylacetic acid butyl ester

2,5-Dihydroxyphenylacetic acid butyl ester

C12H16O4 (224.10485359999998)


   
   
   

ethyl 2,4-dihydroxy-3,5,6-trimethylbenzoate

ethyl 2,4-dihydroxy-3,5,6-trimethylbenzoate

C12H16O4 (224.10485359999998)


   

(3SR,4RS)-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-2H-chromene-3,4-diol

(3SR,4RS)-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-2H-chromene-3,4-diol

C12H16O4 (224.10485359999998)


   
   
   
   
   

Ethyl 2,4-dihydroxy-6-propylbenzoate

Ethyl 2,4-dihydroxy-6-propylbenzoate

C12H16O4 (224.10485359999998)


   

(+)-(7S,8R)-4-hydroxy-3-methoxy-1,2,3,4,5,6,7-heptanorlign-8-one

(+)-(7S,8R)-4-hydroxy-3-methoxy-1,2,3,4,5,6,7-heptanorlign-8-one

C12H16O4 (224.10485359999998)


   

4-(4-hydroxy-3-methylbutyloxy)benzoic acid|turraeanthin C

4-(4-hydroxy-3-methylbutyloxy)benzoic acid|turraeanthin C

C12H16O4 (224.10485359999998)


   
   
   

ethyl 2-hydroxy-3-methoxy-4,6-dimethylbenzoate

ethyl 2-hydroxy-3-methoxy-4,6-dimethylbenzoate

C12H16O4 (224.10485359999998)


   
   
   

cis,cis-Tridecatrien-(2,10,12)-triin-(4,6,8)-yl-acetat

cis,cis-Tridecatrien-(2,10,12)-triin-(4,6,8)-yl-acetat

C15H12O2 (224.0837252)


   

3-Isopropyl-4-acetoxy-6-methylbenzene-1,2-diol

3-Isopropyl-4-acetoxy-6-methylbenzene-1,2-diol

C12H16O4 (224.10485359999998)


   
   

Di-Me ether-3,5,7,9,11-Tridecapentayne-1,2-diol

Di-Me ether-3,5,7,9,11-Tridecapentayne-1,2-diol

C15H12O2 (224.0837252)


   

2-hydroxy-5-butoxyphenylacetic acid

2-hydroxy-5-butoxyphenylacetic acid

C12H16O4 (224.10485359999998)


   

1-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-acetone

1-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-acetone

C12H16O4 (224.10485359999998)


   
   

SCHEMBL21202086

SCHEMBL21202086

C8H16O7 (224.0895986)


   

3-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one

3-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one

C12H16O4 (224.10485359999998)


   

6R-hydroxy-3-[E-3-hydroxy-3-methyl-but-1-enyl]-6-methylcyclohex-2-ene-1,4-dione|acrimine B

6R-hydroxy-3-[E-3-hydroxy-3-methyl-but-1-enyl]-6-methylcyclohex-2-ene-1,4-dione|acrimine B

C12H16O4 (224.10485359999998)


   

4-vinylphenyl benzoate

4-vinylphenyl benzoate

C15H12O2 (224.0837252)


   

Methyl 3-(3,4-dimethoxyphenyl)propanoate

Methyl 3-(3,4-dimethoxyphenyl)propanoate

C12H16O4 (224.10485359999998)


   

2,4,6-Trihydroxy-3,5-dimethylbutyrophenone

2,4,6-Trihydroxy-3,5-dimethylbutyrophenone

C12H16O4 (224.10485359999998)


   
   

azuleno[6,5-b]furan-5-carboxaldehyde, 3,8-dimethyl-

azuleno[6,5-b]furan-5-carboxaldehyde, 3,8-dimethyl-

C15H12O2 (224.0837252)


   
   

3,5-Dimethyl-4-methylenenaphtho[2,3-b]furan-9(4H)-one

3,5-Dimethyl-4-methylenenaphtho[2,3-b]furan-9(4H)-one

C15H12O2 (224.0837252)


   

Chalcone, 3

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

C15H12O2 (224.0837252)


4-hydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. It has a role as a plant metabolite and an antihypertensive agent. It is a member of chalcones and a member of phenols. It is functionally related to a trans-chalcone. A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. 4-Hydroxychalcone is a chalcone metabolite with anti-angiogenic and anti-inflammatory activities. 4-Hydroxychalcone suppresses angiogenesis by suppression of growth factor pathway with no signs of cytotoxicity[1]. 4-Hydroxychalcone inhibits TNF-α induced NF-κB pathway activation and activates BMP signaling, reduces resistant hypertension (RH) by attenuating hyperaldosteronism and renal injury in mice[2].

   

TOB-10

9H-Pyrido(3,4-b)indole, 1-ethenyl-4-methoxy-

C14H12N2O (224.09495819999998)


Dehydrocrenatine is a natural product found in Picrasma quassioides and Picrasma javanica with data available.

   

Spectrum5_000333

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

C15H12O2 (224.0837252)


4-hydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. It has a role as an anti-inflammatory agent and an antineoplastic agent. It is a member of chalcones and a member of phenols. 4'-Hydroxychalcone is a chalcone isolated from licorice root, with hepatoprotective activity. 4'-Hydroxychalcone inhibits TNFα-induced NF-κB activation via proteasome inhibition. 4'-Hydroxychalcone induces a rapid potassium release from mitochondrial vesicles and causes deterioration of respiratory control and oxidative phosphorylation of isolated rat liver mitochondria[1][2][3].

   

3-Hydroxykynurenine

3-hydroxy-dl-kynurenine

C10H12N2O4 (224.07970319999998)


A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3. C26170 - Protective Agent > C275 - Antioxidant MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; VCKPUUFAIGNJHC-UHFFFAOYSA-N_STSL_0007_3-Hydroxy-DL-Kynurenine_8000fmol_180416_S2_LC02_MS02_13; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   
   

O-Hydroxychalcone

O-Hydroxychalcone

C15H12O2 (224.0837252)


   
   

C12H16O4_(3Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one

NCGC00169049-03_C12H16O4_(3Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one

C12H16O4 (224.10485359999998)


   

C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)

NCGC00380966-01_C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)-

C12H16O4 (224.10485359999998)


   

C12H16O4_4-Pentene-2,3-diol, 5-[3-hydroxy-2-(hydroxymethyl)phenyl]-, (2S,3R,4E)

NCGC00384684-01_C12H16O4_4-Pentene-2,3-diol, 5-[3-hydroxy-2-(hydroxymethyl)phenyl]-, (2S,3R,4E)-

C12H16O4 (224.10485359999998)


   
   

2-Hydroxychalcone

2-Propen-1-one,1-(2-hydroxyphenyl)-3-phenyl-, (2E)-

C15H12O2 (224.0837252)


2-hydroxychalcone, a natural flavonoid, is a potent antioxidant, inhibiting lipid peroxidation. 2-Hydroxychalcone induces apoptosis by Bcl-2 downregulation. 2-Hydroxychalcone inhibits the activation of NF-kB[1][2][3]. 2-hydroxychalcone, a natural flavonoid, is a potent antioxidant, inhibiting lipid peroxidation. 2-Hydroxychalcone induces apoptosis by Bcl-2 downregulation. 2-Hydroxychalcone inhibits the activation of NF-kB[1][2][3].

   

Stavudine

Stavudine

C10H12N2O4 (224.07970319999998)


J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2238; ORIGINAL_PRECURSOR_SCAN_NO 2235 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2232; ORIGINAL_PRECURSOR_SCAN_NO 2230 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2236; ORIGINAL_PRECURSOR_SCAN_NO 2234 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2225; ORIGINAL_PRECURSOR_SCAN_NO 2224 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2291; ORIGINAL_PRECURSOR_SCAN_NO 2290 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2235; ORIGINAL_PRECURSOR_SCAN_NO 2233 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9439; ORIGINAL_PRECURSOR_SCAN_NO 9434 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9395 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9567; ORIGINAL_PRECURSOR_SCAN_NO 9562 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9454; ORIGINAL_PRECURSOR_SCAN_NO 9450 Stavudine (d4T) is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Stavudine has activity against HIV-1 and HIV-2. Stavudine also inhibits the replication of mitochondrial DNA (mtDNA). Stavudine reduces NLRP3 inflammasome activation and modulates Amyloid-β autophagy. Stavudine induces apoptosis[1][2][3][4].

   

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

C15H12O2 (224.0837252)


   

4-Hydroxychalcone

4-Hydroxychalcone

C15H12O2 (224.0837252)


   
   
   
   
   
   
   

(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol_major

(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol_major

C12H16O4 (224.10485359999998)


   

7-HYDROXYETHYLTHEOPHYLLINE

7-HYDROXYETHYLTHEOPHYLLINE

C9H12N4O3 (224.0909362)


   

Temurin

1,3,7,9-Tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

C9H12N4O3 (224.0909362)


   

L-Nicotianine

1-(3-amino-3-carboxypropyl)pyridin-1-ium-3-carboxylate

C10H12N2O4 (224.07970319999998)


   

N-Methoxy-1-vinyl-b-carboline

1-ethenyl-9-methoxy-9H-pyrido[3,4-b]indole

C14H12N2O (224.09495819999998)


   

Diplodiol

6-Ethyl-5,6,7,8-tetrahydro-5-hydroxy-3-(hydroxymethyl)-4H-1-benzopyran-4-one, 9ci

C12H16O4 (224.10485359999998)


   

Pogostone

4-Hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-2H-pyran-2-one, 9CI

C12H16O4 (224.10485359999998)


Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2]. Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2].

   

Vanillin 1,2-butylene glycol acetal

4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol

C12H16O4 (224.10485359999998)


   

Acoramone

1-(2,4,5-Trimethoxyphenyl)-2-propanone, 9ci

C12H16O4 (224.10485359999998)


   

UNII:PP1L5D6A0Y

2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, 9ci

C12H16O4 (224.10485359999998)


   

Isoacoramone

2',4',5'-Trimethoxypropiophenone

C12H16O4 (224.10485359999998)


   

3',4',5'-Trimethoxycinnamyl alcohol

3',4',5'-Trimethoxycinnamyl alcohol

C12H16O4 (224.10485359999998)


   

methyl 3-(ethylamino)-4-nitrobenzoate

methyl 3-(ethylamino)-4-nitrobenzoate

C10H12N2O4 (224.07970319999998)


   

9-fluorenyl acetate

9-fluorenyl acetate

C15H12O2 (224.0837252)


   
   

2-hydroxy-3-(4-methoxy-phenyl)-propionic acid ethyl ester

2-hydroxy-3-(4-methoxy-phenyl)-propionic acid ethyl ester

C12H16O4 (224.10485359999998)


   

Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate

Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate

C12H16O4 (224.10485359999998)


   

[3-(1H-benzimidazol-2-yl)phenyl]methanol

[3-(1H-benzimidazol-2-yl)phenyl]methanol

C14H12N2O (224.09495819999998)


   

3-Fluoro-4-piperazinobenzoic Acid

3-Fluoro-4-piperazinobenzoic Acid

C11H13FN2O2 (224.096101)


   

Benzenebutanoic acid,2,5-dimethoxy-

Benzenebutanoic acid,2,5-dimethoxy-

C12H16O4 (224.10485359999998)


   

2-(4-PHENYLPHENYL)MALONDIALDEHYDE

2-(4-PHENYLPHENYL)MALONDIALDEHYDE

C15H12O2 (224.0837252)


   
   
   
   

Diethyl 2,2-difluoropentanedioate

Diethyl 2,2-difluoropentanedioate

C9H14F2O4 (224.0860108)


   

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

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

C14H12N2O (224.09495819999998)


   
   

methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate

methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate

C12H16O4 (224.10485359999998)


   

ethyl 2-diethoxyphosphorylacetate

ethyl 2-diethoxyphosphorylacetate

C8H17O5P (224.0813562)


   

4,6-DIAMINO-1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER

4,6-DIAMINO-1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER

C10H12N2O4 (224.07970319999998)


   
   
   

(4-(Ethoxycarbonyl)-3-methoxyphenyl)boronic acid

(4-(Ethoxycarbonyl)-3-methoxyphenyl)boronic acid

C10H13BO5 (224.0855998)


   

2-azido-3-methylimidazo[4,5-f]quinoline

2-azido-3-methylimidazo[4,5-f]quinoline

C11H8N6 (224.08104079999998)


   

2-triethoxysilylethanethiol

2-triethoxysilylethanethiol

C8H20O3SSi (224.090237)


   

(Z)-alpha-Phenylcinnamic acid

Benzeneacetic acid, a-(phenylmethylene)-, (aZ)-

C15H12O2 (224.0837252)


   

DIETHYLPHOSPHONOBUTANOIC ACID

DIETHYLPHOSPHONOBUTANOIC ACID

C8H17O5P (224.0813562)


   

1-(4-chlorphenyl)-4,4-dimethylpentan-3-on

1-(4-chlorphenyl)-4,4-dimethylpentan-3-on

C13H17ClO (224.0967862)


   
   

TRIETHYL PHOSPHONOACETATE

TRIETHYL PHOSPHONOACETATE

C8H17O5P (224.0813562)


   

hydroxybenzalaceto-phenone

hydroxybenzalaceto-phenone

C15H12O2 (224.0837252)


   

(2E)-1-(4-aminophenyl)-3-pyridin-3-ylprop-2-en-1-one

(2E)-1-(4-aminophenyl)-3-pyridin-3-ylprop-2-en-1-one

C14H12N2O (224.09495819999998)


   

ethyl 2-(4-hydroxyphenoxy)-2-methyl-propanoate

ethyl 2-(4-hydroxyphenoxy)-2-methyl-propanoate

C12H16O4 (224.10485359999998)


   

Benzenamine,4-(5-methyl-2-benzoxazolyl)-

Benzenamine,4-(5-methyl-2-benzoxazolyl)-

C14H12N2O (224.09495819999998)


   

Methyl 2-fluoro-6-(pyrrolidin-1-yl)nicotinate

Methyl 2-fluoro-6-(pyrrolidin-1-yl)nicotinate

C11H13FN2O2 (224.096101)


   

3-(4-ethoxy-3-methoxyphenyl)propanoic acid

3-(4-ethoxy-3-methoxyphenyl)propanoic acid

C12H16O4 (224.10485359999998)


   

3-methoxy-4-(3-methoxypropoxy)benzaldehyde

3-methoxy-4-(3-methoxypropoxy)benzaldehyde

C12H16O4 (224.10485359999998)


   

3-(2,4,6-Trimethoxyphenyl)propanal

3-(2,4,6-Trimethoxyphenyl)propanal

C12H16O4 (224.10485359999998)


   

methyl 4-(ethylamino)-3-nitrobenzoate

methyl 4-(ethylamino)-3-nitrobenzoate

C10H12N2O4 (224.07970319999998)


   

5-(benzyloxy)-1H-pyrrolo[3,2-b]pyridine

5-(benzyloxy)-1H-pyrrolo[3,2-b]pyridine

C14H12N2O (224.09495819999998)


   

3-benzylphthalide

3-benzylphthalide

C15H12O2 (224.0837252)


   

ETHYL 4-(2-FLUOROPHENYL)-4-OXOBUTYRATE

ETHYL 4-(2-FLUOROPHENYL)-4-OXOBUTYRATE

C12H13FO3 (224.084868)


   
   

9-Fluoreneacetic acid

9-Fluorene acetic acid

C15H12O2 (224.0837252)


   

2-(1,3-benzodioxol-5-yloxy)propanehydrazide

2-(1,3-benzodioxol-5-yloxy)propanehydrazide

C10H12N2O4 (224.07970319999998)


   

5-Methylthiophene-2-boronic acid pinacol ester

5-Methylthiophene-2-boronic acid pinacol ester

C11H17BO2S (224.10422520000003)


   

tert-Butyl O,O-dimethylphosphonoacetate

tert-Butyl O,O-dimethylphosphonoacetate

C8H17O5P (224.0813562)


   

5-FLUORO-7,8-DIMETHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

5-FLUORO-7,8-DIMETHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

C12H13FO3 (224.084868)


   

(3-CHLORO-4-CYCLOHEXYL-PHENYL)-METHANOL

(3-CHLORO-4-CYCLOHEXYL-PHENYL)-METHANOL

C13H17ClO (224.0967862)


   
   
   

3-methoxy-5-(3-methoxypropoxy)benzaldehyde

3-methoxy-5-(3-methoxypropoxy)benzaldehyde

C12H16O4 (224.10485359999998)


   

3-(trimethylsiloxypropyl)dimethylchlorosilane

3-(trimethylsiloxypropyl)dimethylchlorosilane

C8H21ClOSi2 (224.0819406)


   

3-Acetylbenzophenone

3-Acetylbenzophenone

C15H12O2 (224.0837252)


   

4-phenylcinnamic acid

4-phenylcinnamic acid

C15H12O2 (224.0837252)


   
   

2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

C11H16N2OS (224.09832859999997)


   

(2-([1,1-BIPHENYL]-4-YL)VINYL)BORONIC ACID

(2-([1,1-BIPHENYL]-4-YL)VINYL)BORONIC ACID

C14H13BO2 (224.10085480000004)


   

2-(4-FLUOROBENZYL)-3-OXO-BUTYRICACIDMETHYLESTER

2-(4-FLUOROBENZYL)-3-OXO-BUTYRICACIDMETHYLESTER

C12H13FO3 (224.084868)


   

tert-butyl (4-hydroxy-3-methylphenyl) carbonate

tert-butyl (4-hydroxy-3-methylphenyl) carbonate

C12H16O4 (224.10485359999998)


   

phenyl-(3-phenyloxiran-2-yl)methanone

phenyl-(3-phenyloxiran-2-yl)methanone

C15H12O2 (224.0837252)


   

4-Methoxy-2-(1-methylethoxy)benzoic acid methyl ester

4-Methoxy-2-(1-methylethoxy)benzoic acid methyl ester

C12H16O4 (224.10485359999998)


   
   

N-(4-Nitrophenyl)-2-hydroxy-2-methylpropanamide

N-(4-Nitrophenyl)-2-hydroxy-2-methylpropanamide

C10H12N2O4 (224.07970319999998)


   

4-(3,4-Dimethoxyphenyl)butanoic acid

4-(3,4-Dimethoxyphenyl)butanoic acid

C12H16O4 (224.10485359999998)


   

2-CHLORO-1-(4-ISOBUTYL)PROPAN-1-ONE

2-CHLORO-1-(4-ISOBUTYL)PROPAN-1-ONE

C13H17ClO (224.0967862)


   

4-ISOPROPOXY-1,3-PHENYLENEBISBORONIC ACID

4-ISOPROPOXY-1,3-PHENYLENEBISBORONIC ACID

C9H14B2O5 (224.1027294)


   

5-AMINOMETHYL-1H-PYRIDIN-2-ONE

5-AMINOMETHYL-1H-PYRIDIN-2-ONE

C12H13FO3 (224.084868)


   

4-(4-FLUOROPHENYL)TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID

4-(4-FLUOROPHENYL)TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID

C12H13FO3 (224.084868)


   
   

1-CHLORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZENE

1-CHLORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZENE

C11H14BClO2 (224.07753240000002)


   

methyl 4-((2-methoxyethoxy)methyl)benzoate

methyl 4-((2-methoxyethoxy)methyl)benzoate

C12H16O4 (224.10485359999998)


   

5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxane

5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxane

C12H16O4 (224.10485359999998)


   

Acetic acid,2-[[4-(1,1-dimethylethyl)phenyl]thio]-

Acetic acid,2-[[4-(1,1-dimethylethyl)phenyl]thio]-

C12H16O2S (224.0870956)


   

Benzeneacetic acid,2,3-dimethoxy-, ethyl ester

Benzeneacetic acid,2,3-dimethoxy-, ethyl ester

C12H16O4 (224.10485359999998)


   
   

4-ISOBUTOXY-3-METHOXYBENZOIC ACID

4-ISOBUTOXY-3-METHOXYBENZOIC ACID

C12H16O4 (224.10485359999998)


   

Ethyl 2-(3-methoxyphenoxy)propanoate

Ethyl 2-(3-methoxyphenoxy)propanoate

C12H16O4 (224.10485359999998)


   

5-Fluoro-2-piperazinobenzoic Acid

5-Fluoro-2-piperazinobenzoic Acid

C11H13FN2O2 (224.096101)


   

7-(BENZYLOXY)-1H-PYRROLO[3,2-B]PYRIDINE

7-(BENZYLOXY)-1H-PYRROLO[3,2-B]PYRIDINE

C14H12N2O (224.09495819999998)


   

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

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

C14H12N2O (224.09495819999998)


   

3-Methylthiophene-2-boronic acid pinacol ester

3-Methylthiophene-2-boronic acid pinacol ester

C11H17BO2S (224.10422520000003)


   

2-HYDROXY-10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-ONE

2-HYDROXY-10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-ONE

C15H12O2 (224.0837252)


   

1-Ethyl-3-Methylimidazolium Trifluoroacetate

1-Ethyl-3-Methylimidazolium Trifluoroacetate

C8H11F3N2O2 (224.0772582)


   

DIETHYL ((1,3-DIOXOLAN-2-YL)METHYL)PHOSPHONATE

DIETHYL ((1,3-DIOXOLAN-2-YL)METHYL)PHOSPHONATE

C8H17O5P (224.0813562)


   

Benzene,1,2,3,4-tetramethyl-5,6-dinitro-

Benzene,1,2,3,4-tetramethyl-5,6-dinitro-

C10H12N2O4 (224.07970319999998)


   

2-Methylthiophene-3-boronic acid pinacol ester

2-Methylthiophene-3-boronic acid pinacol ester

C11H17BO2S (224.10422520000003)


   

4-Methylthiophene-3-boronic acid pinacol ester

4-Methylthiophene-3-boronic acid pinacol ester

C11H17BO2S (224.10422520000003)


   

Sodium hydrogen sebacate

Sodium hydrogen sebacate

C10H17NaO4 (224.1024482)


   

4-(2-Ethoxy-2-oxoethoxy)benzeneboronic acid

4-(2-Ethoxy-2-oxoethoxy)benzeneboronic acid

C10H13BO5 (224.0855998)


   

methyl 2-[(3-amino-2-hydroxy-benzoyl)amino]acetate

methyl 2-[(3-amino-2-hydroxy-benzoyl)amino]acetate

C10H12N2O4 (224.07970319999998)


   

3,3-Diphenyl-2-propenoic acid

3,3-Diphenyl-2-propenoic acid

C15H12O2 (224.0837252)


   

6-Methoxy-2-phenylimidazo[1,2-a]pyridine

6-Methoxy-2-phenylimidazo[1,2-a]pyridine

C14H12N2O (224.09495819999998)


   

1-(2-Methoxyethyl)-2-pyrrolidinone

1-(2-Methoxyethyl)-2-pyrrolidinone

C14H12N2O (224.09495819999998)


   

1-[2-(2-ETHOXYETHOXY)-6-HYDROXYPHENYL]ETHAN-1-ONE

1-[2-(2-ETHOXYETHOXY)-6-HYDROXYPHENYL]ETHAN-1-ONE

C12H16O4 (224.10485359999998)


   

4-(1-oxidopyridin-4-ylidene)pyridin-1-ium 1-oxide,hydrate

4-(1-oxidopyridin-4-ylidene)pyridin-1-ium 1-oxide,hydrate

C10H12N2O4 (224.07970319999998)


   

6-(3-Pyridinyl)-3,4-dihydro-2(1H)-quinolinone

6-(3-Pyridinyl)-3,4-dihydro-2(1H)-quinolinone

C14H12N2O (224.09495819999998)


   

1H-Indene,1-(4-fluorophenyl)-2-methyl-(9CI)

1H-Indene,1-(4-fluorophenyl)-2-methyl-(9CI)

C16H13F (224.100123)


   

1,3-diphenyl-2,3-epoxy-1-propanone

1,3-diphenyl-2,3-epoxy-1-propanone

C15H12O2 (224.0837252)


   

5-METHOXY-3-PHENYLBENZOFURAN

5-METHOXY-3-PHENYLBENZOFURAN

C15H12O2 (224.0837252)


   

5-amino-2-methyl-10h-acridin-9-one

5-amino-2-methyl-10h-acridin-9-one

C14H12N2O (224.09495819999998)


   

1,2-Ethanedione,1,2-diphenyl-, 1-hydrazone

1,2-Ethanedione,1,2-diphenyl-, 1-hydrazone

C14H12N2O (224.09495819999998)


   

N-ETHOXYCARBONYL-5-NITRO-O-TOLUIDINE

N-ETHOXYCARBONYL-5-NITRO-O-TOLUIDINE

C10H12N2O4 (224.07970319999998)


   

2,2-dimethyl-3-hydroxy-3-(p-methoxyphenyl)propionic acid

2,2-dimethyl-3-hydroxy-3-(p-methoxyphenyl)propionic acid

C12H16O4 (224.10485359999998)


   

(3-(2-Ethoxy-2-oxoethoxy)phenyl)boronic acid

(3-(2-Ethoxy-2-oxoethoxy)phenyl)boronic acid

C10H13BO5 (224.0855998)


   

(5-(Ethoxycarbonyl)-2-methoxyphenyl)boronic acid

(5-(Ethoxycarbonyl)-2-methoxyphenyl)boronic acid

C10H13BO5 (224.0855998)


   

1-(4-Fluoro-2-nitrophenyl)piperidine

1-(4-Fluoro-2-nitrophenyl)piperidine

C11H13FN2O2 (224.096101)


   

1-Butanone,4-chloro-1-[4-(1-methylethyl)phenyl]-

1-Butanone,4-chloro-1-[4-(1-methylethyl)phenyl]-

C13H17ClO (224.0967862)


   

5-Benzooxazol-2-yl-2-methyl-phenylamine

5-Benzooxazol-2-yl-2-methyl-phenylamine

C14H12N2O (224.09495819999998)


   

1-(3-METHOXYBIPHENYL-4-YL)ETHANONE

1-(3-METHOXYBIPHENYL-4-YL)ETHANONE

C14H12N2O (224.09495819999998)


   

1,2,3,6-TETRAHYDROINDOLIZINO[6,7-B]INDOL-5-ONE

1,2,3,6-TETRAHYDROINDOLIZINO[6,7-B]INDOL-5-ONE

C14H12N2O (224.09495819999998)


   

2,2,2-Trifluoro-N-(2-oxa-6-azaspiro[3.4]oct-8-yl)acetamide

2,2,2-Trifluoro-N-(2-oxa-6-azaspiro[3.4]oct-8-yl)acetamide

C8H11F3N2O2 (224.0772582)


   

(R)-3-AMINO-N-METHYL-4-(PHENYLTHIO)BUTANAMIDE

(R)-3-AMINO-N-METHYL-4-(PHENYLTHIO)BUTANAMIDE

C11H16N2OS (224.09832859999997)


   

sodium,1,1,2,2,3,3-hexadeuterio-3-trimethylsilylpropane-1-sulfonate

sodium,1,1,2,2,3,3-hexadeuterio-3-trimethylsilylpropane-1-sulfonate

C6H9D6NaO3SSi (224.07854706799998)


   

3-([1,1-BIPHENYL]-3-YL)ACRYLIC ACID

3-([1,1-BIPHENYL]-3-YL)ACRYLIC ACID

C15H12O2 (224.0837252)


   
   

8-(Benzyloxy)imidazo[1,5-a]pyridine

8-(Benzyloxy)imidazo[1,5-a]pyridine

C14H12N2O (224.09495819999998)


   

METHYL 4-ISOPROPOXY-3-METHOXYBENZOATE

METHYL 4-ISOPROPOXY-3-METHOXYBENZOATE

C12H16O4 (224.10485359999998)


   

(3-HYDROXY-BENZYL)-CARBAMICACIDTERT-BUTYLESTER

(3-HYDROXY-BENZYL)-CARBAMICACIDTERT-BUTYLESTER

C14H12N2O (224.09495819999998)


   

H-HomoArg-OH·HCl

H-HomoArg-OH·HCl

C7H17ClN4O2 (224.1039972)


H-HomoArg-OH.HCl is an endogenous metabolite.

   

1-benzyl-3H-pyrrolo[2,3-b]pyridin-2-one

1-benzyl-3H-pyrrolo[2,3-b]pyridin-2-one

C14H12N2O (224.09495819999998)


   

(3-chloropropyl)pentamethyldisiloxane

(3-chloropropyl)pentamethyldisiloxane

C8H21ClOSi2 (224.0819406)


   

methyl 9H-fluorene-9-carboxylate

9H-Fluorene-9-carboxylicacid, methyl ester

C15H12O2 (224.0837252)


   

ethyl N-(4-methyl-3-nitrophenyl)carbamate

ethyl N-(4-methyl-3-nitrophenyl)carbamate

C10H12N2O4 (224.07970319999998)


   

ethyl 2-(2,5-dimethoxyphenyl)acetate

ethyl 2-(2,5-dimethoxyphenyl)acetate

C12H16O4 (224.10485359999998)


   

4-Methylthiophene-2-boronic acid, pinacol ester

4-Methylthiophene-2-boronic acid, pinacol ester

C11H17BO2S (224.10422520000003)


   

2-[4-(2-methylpropyl)phenyl]propanoyl chloride

2-[4-(2-methylpropyl)phenyl]propanoyl chloride

C13H17ClO (224.0967862)


   

6-BENZYL-6,7-DIHYDROPYRROLO[3,4-B]PYRIDIN-5-ONE

6-BENZYL-6,7-DIHYDROPYRROLO[3,4-B]PYRIDIN-5-ONE

C14H12N2O (224.09495819999998)


   

5-(6-METHOXY-2-NAPHTHYL)-1H-PYRAZOLE

5-(6-METHOXY-2-NAPHTHYL)-1H-PYRAZOLE

C14H12N2O (224.09495819999998)


   

N-ETHOXYCARBONYL-3-NITRO-O-TOLUIDINE

N-ETHOXYCARBONYL-3-NITRO-O-TOLUIDINE

C10H12N2O4 (224.07970319999998)


   

2-amino-n-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-n-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C11H16N2OS (224.09832859999997)


   

(3-Hydroxyadamantan-1-yl)(oxo)acetic acid

(3-Hydroxyadamantan-1-yl)(oxo)acetic acid

C12H16O4 (224.10485359999998)


   
   
   

3-Acetyl-biphenyl-3-carbaldehyde

3-Acetyl-biphenyl-3-carbaldehyde

C15H12O2 (224.0837252)


   

Phenol,2-(6-methyl-1H-benzimidazol-2-yl)-

Phenol,2-(6-methyl-1H-benzimidazol-2-yl)-

C14H12N2O (224.09495819999998)


   

1H-Benzimidazole,2-(4-methoxyphenyl)-

1H-Benzimidazole,2-(4-methoxyphenyl)-

C14H12N2O (224.09495819999998)


   
   

(S)-2-HYDROXY-3-(4-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER

(S)-2-HYDROXY-3-(4-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER

C12H16O4 (224.10485359999998)


   

3,4-dimethoxy-5-propoxybenzaldehyde

3,4-dimethoxy-5-propoxybenzaldehyde

C12H16O4 (224.10485359999998)


   

3,5-dimethoxy-4-propoxybenzaldehyde

3,5-dimethoxy-4-propoxybenzaldehyde

C12H16O4 (224.10485359999998)


   

azanium,2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate

azanium,2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate

C7H16N2O4S (224.0830736)


   

1-(4-tert-butylphenyl)-2-chloropropan-1-one

1-(4-tert-butylphenyl)-2-chloropropan-1-one

C13H17ClO (224.0967862)


   

3-ETHYL-5-PYRAZOLCARBOXYLICACIDMETHYLESTER

3-ETHYL-5-PYRAZOLCARBOXYLICACIDMETHYLESTER

C9H18Cl2N2 (224.08469680000002)


   

4-Chlorobenzyl pinacolone

4-Chlorobenzyl pinacolone

C13H17ClO (224.0967862)


   

O,S-DIISOBUTYL METHYLPHOSPHONOTHIOATE

O,S-DIISOBUTYL METHYLPHOSPHONOTHIOATE

C9H21O2PS (224.0999816)


   

4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-carboxylic acid

4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-carboxylic acid

C12H13FO3 (224.084868)


   

4-(4-acetylphenyl)benzaldehyde

4-(4-acetylphenyl)benzaldehyde

C15H12O2 (224.0837252)


   
   
   

3H-Indazol-3-one,1,2-dihydro-2-(phenylmethyl)-

3H-Indazol-3-one,1,2-dihydro-2-(phenylmethyl)-

C14H12N2O (224.09495819999998)


   

(3E)-4-(3,4-Dimethoxyphenyl)-3-butene-1,2-diol

(3E)-4-(3,4-Dimethoxyphenyl)-3-butene-1,2-diol

C12H16O4 (224.10485359999998)


   

3-(3-Ethylthioureido)phenylboronic acid

3-(3-Ethylthioureido)phenylboronic acid

C9H13BN2O2S (224.0790748)


   

ETHYL 6-(TERT-BUTYL)-4-OXO-4H-PYRAN-3-CARBOXYLATE

ETHYL 6-(TERT-BUTYL)-4-OXO-4H-PYRAN-3-CARBOXYLATE

C12H16O4 (224.10485359999998)


   
   

4-(4-AMINOPHENYL)ISOINDOLIN-1-ONE

4-(4-AMINOPHENYL)ISOINDOLIN-1-ONE

C14H12N2O (224.09495819999998)


   

[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol

[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol

C14H12N2O (224.09495819999998)


   

L-Asparagine tert.butyl ester hydrochloride

L-Asparagine tert.butyl ester hydrochloride

C8H17ClN2O3 (224.0927642)


   

(R)-3-AMINO-4-(4-BROMOPHENYL)BUTANOICACIDHYDROCHLORIDE

(R)-3-AMINO-4-(4-BROMOPHENYL)BUTANOICACIDHYDROCHLORIDE

C10H12N2O4 (224.07970319999998)


   

alpha-Phenylcinnamic acid

Benzeneacetic acid, a-(phenylmethylene)-

C15H12O2 (224.0837252)


   
   

1-Benzyl-1,2-dihydro-3H-indazol-3-one

1-Benzyl-1,2-dihydro-3H-indazol-3-one

C14H12N2O (224.09495819999998)


   

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

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

C14H12N2O (224.09495819999998)


   

(4-(ISOPENTYLTHIO)PHENYL)BORONIC ACID

(4-(ISOPENTYLTHIO)PHENYL)BORONIC ACID

C11H17BO2S (224.10422520000003)


   

1-Benzyl-1,3-dihydro-2H-benzimidazole-2-one

1-Benzyl-1,3-dihydro-2H-benzimidazole-2-one

C14H12N2O (224.09495819999998)


   

2 4-BIS(DIMETHYLAMINO)-6-CHLOROPYRIDINE-3-CARBONITRILE

2 4-BIS(DIMETHYLAMINO)-6-CHLOROPYRIDINE-3-CARBONITRILE

C10H13ClN4 (224.0828688)


   

2-Fluoro-2-methyl-3-oxo-3-phenyl-propionic acid ethyl ester

2-Fluoro-2-methyl-3-oxo-3-phenyl-propionic acid ethyl ester

C12H13FO3 (224.084868)


   

methyl 3-(4-fluorophenyl)pyrazolidine-4-carboxylate

methyl 3-(4-fluorophenyl)pyrazolidine-4-carboxylate

C11H13FN2O2 (224.096101)


   

ethyl 2-[4-(2-hydroxyethyl)phenoxy]acetate

ethyl 2-[4-(2-hydroxyethyl)phenoxy]acetate

C12H16O4 (224.10485359999998)


   

1-(1-Naphthyl)-2-(trimethylsilyl)acetylene

1-(1-Naphthyl)-2-(trimethylsilyl)acetylene

C15H16Si (224.10212159999998)


   

6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

C14H12N2O (224.09495819999998)


   

ethyl 2-(methoxymethoxy)-6-methylbenzoate

ethyl 2-(methoxymethoxy)-6-methylbenzoate

C12H16O4 (224.10485359999998)


   

1-BENZYL-2-FURAN-2-YL-1H-IMIDAZOLE

1-BENZYL-2-FURAN-2-YL-1H-IMIDAZOLE

C14H12N2O (224.09495819999998)


   

3-P-TOLYLSULFANYL-PROPIONIC ACID ETHYL ESTER

3-P-TOLYLSULFANYL-PROPIONIC ACID ETHYL ESTER

C12H16O2S (224.0870956)


   

8-(Benzyloxy)imidazo[1,2-a]pyridine

8-(Benzyloxy)imidazo[1,2-a]pyridine

C14H12N2O (224.09495819999998)


   

(S)-(-)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine

(S)-(-)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine

C14H12N2O (224.09495819999998)


   

2-hydroxyethyl D-glucoside

2-hydroxyethyl D-glucoside

C8H16O7 (224.0895986)


   

Butanoic acid, 2-(4-ethoxyphenoxy)-

Butanoic acid, 2-(4-ethoxyphenoxy)-

C12H16O4 (224.10485359999998)


   

2-(4-ethoxyphenoxy)-2-methylpropanoic acid

2-(4-ethoxyphenoxy)-2-methylpropanoic acid

C12H16O4 (224.10485359999998)


   
   

D-Arginine methyl ester hydrochloride

D-Arginine methyl ester hydrochloride

C7H17ClN4O2 (224.1039972)


   

Ethyl 4-(3-fluorophenyl)-3-oxobutanoate

Ethyl 4-(3-fluorophenyl)-3-oxobutanoate

C12H13FO3 (224.084868)


   

ethyl 2-(3-hydroxyphenoxy)-2-methyl propanoate

ethyl 2-(3-hydroxyphenoxy)-2-methyl propanoate

C12H16O4 (224.10485359999998)


   

4-[(2-NITROPHENYL)AMINO]BUTANOIC ACID

4-[(2-NITROPHENYL)AMINO]BUTANOIC ACID

C10H12N2O4 (224.07970319999998)


   

4-NITROPHENYL AMINOETHYLUREA

4-NITROPHENYL AMINOETHYLUREA

C9H12N4O3 (224.0909362)


   

4-Methoxy-3-(3-methoxypropoxy)benzaldehyde

4-Methoxy-3-(3-methoxypropoxy)benzaldehyde

C12H16O4 (224.10485359999998)


   

5-Amino-2-(4-aminophenyl)benzofuran

5-Amino-2-(4-aminophenyl)benzofuran

C14H12N2O (224.09495819999998)


   

2-(4-ethoxy-3-methoxy-phenyl)-1,3-dioxolane

2-(4-ethoxy-3-methoxy-phenyl)-1,3-dioxolane

C12H16O4 (224.10485359999998)


   

(2-((Dimethylamino)methyl)-5-nitrophenyl)boronic acid

(2-((Dimethylamino)methyl)-5-nitrophenyl)boronic acid

C9H13BN2O4 (224.0968328)


   

N-(3-CYANOPHENYL)-N-(4-METHOXYPHENYL)AMINE

N-(3-CYANOPHENYL)-N-(4-METHOXYPHENYL)AMINE

C14H12N2O (224.09495819999998)


   

4-(1-Methoxypropan-2-yloxy)-2-Methylbenzoic acid

4-(1-Methoxypropan-2-yloxy)-2-Methylbenzoic acid

C12H16O4 (224.10485359999998)


   

2-(1-NAPHTHYL)-4-(HYDROXYMETHYL)IMIDAZOLE

2-(1-NAPHTHYL)-4-(HYDROXYMETHYL)IMIDAZOLE

C14H12N2O (224.09495819999998)


   
   

2-(3,4-dimethoxyphenyl)-2-methylpropanoic acid

2-(3,4-dimethoxyphenyl)-2-methylpropanoic acid

C12H16O4 (224.10485359999998)


   

3,4,5-trimethoxyphenylacetone

1-(3,4,5-Trimethoxyphenyl)propan-2-one

C12H16O4 (224.10485359999998)


   

6-(Benzyloxy)-1-benzofuran

6-(Benzyloxy)-1-benzofuran

C15H12O2 (224.0837252)


   
   

Ethyl 4-(methylamino)-3-nitrobenzoate

Ethyl 4-(methylamino)-3-nitrobenzoate

C10H12N2O4 (224.07970319999998)


   

4-(Isopropylamino)-3-nitrobenzoic acid

4-(Isopropylamino)-3-nitrobenzoic acid

C10H12N2O4 (224.07970319999998)


   
   
   

tert-Butyl 2-(4-hydroxyphenoxy)acetate

tert-Butyl 2-(4-hydroxyphenoxy)acetate

C12H16O4 (224.10485359999998)


   

4-n-hexylbenzoyl chloride

4-n-hexylbenzoyl chloride

C13H17ClO (224.0967862)


   

2-FLUORO-4-PIPERAZINOBENZOIC ACID

2-FLUORO-4-PIPERAZINOBENZOIC ACID

C11H13FN2O2 (224.096101)


   

N-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide

N-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide

C10H12N2O4 (224.07970319999998)


   
   

BENZOIC ACID, 2,4-DIMETHOXY-5-(1-METHYLETHYL)-

BENZOIC ACID, 2,4-DIMETHOXY-5-(1-METHYLETHYL)-

C12H16O4 (224.10485359999998)


   

4-Methyl-3-(3-methoxypropoxyl)benzoic acid

4-Methyl-3-(3-methoxypropoxyl)benzoic acid

C12H16O4 (224.10485359999998)


   

(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

C10H12N2O4 (224.07970319999998)


   

4-Hydroxy-6-(2-oxoheptyl)pyran-2-one

4-Hydroxy-6-(2-oxoheptyl)pyran-2-one

C12H16O4 (224.10485359999998)


A pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and 2-oxoheptyl groups respectively.

   

Phenylbenzylglyoxal

Phenylbenzylglyoxal

C15H12O2 (224.0837252)


   

1-(2,4,6-Trihydroxyphenyl)hexan-1-one

1-(2,4,6-Trihydroxyphenyl)hexan-1-one

C12H16O4 (224.10485359999998)


   

3-Phenyl-N-pyridin-3-yl-acrylamide

3-Phenyl-N-pyridin-3-yl-acrylamide

C14H12N2O (224.09495819999998)


   

(2R)-flavanone

(2R)-flavanone

C15H12O2 (224.0837252)


The (R)-enantiomer of flavanone.

   

3-(4-Methoxyphenyl)imidazo[1,5-a]pyridine

3-(4-Methoxyphenyl)imidazo[1,5-a]pyridine

C14H12N2O (224.09495819999998)


   

1H-indol-3-yl(pyridin-2-yl)methanol

1H-indol-3-yl(pyridin-2-yl)methanol

C14H12N2O (224.09495819999998)


   

Methyl 2-amino-3-(4-nitrophenyl)propanoate

Methyl 2-amino-3-(4-nitrophenyl)propanoate

C10H12N2O4 (224.07970319999998)


   

4-(4-Hydroxy-3,5-dimethoxyphenyl)butan-2-one

4-(4-Hydroxy-3,5-dimethoxyphenyl)butan-2-one

C12H16O4 (224.10485359999998)


   

5-(4-Hydroxy-3-methoxyphenyl)pentanoic acid

5-(4-Hydroxy-3-methoxyphenyl)pentanoic acid

C12H16O4 (224.10485359999998)


   

Trimethylsilyl 4-methoxybenzoate

Trimethylsilyl 4-methoxybenzoate

C11H16O3Si (224.0868666)


   

m-Anisaldehyde, 4-(trimethylsiloxy)-

m-Anisaldehyde, 4-(trimethylsiloxy)-

C11H16O3Si (224.0868666)


   

Benzoic acid, 2-methoxy-, trimethylsilyl ester

Benzoic acid, 2-methoxy-, trimethylsilyl ester

C11H16O3Si (224.0868666)


   

Benzoic acid, p-(trimethylsiloxy)-, methyl ester

Benzoic acid, p-(trimethylsiloxy)-, methyl ester

C11H16O3Si (224.0868666)


   

Acetic acid, phenoxy-, trimethylsilyl ester

Acetic acid, phenoxy-, trimethylsilyl ester

C11H16O3Si (224.0868666)


   

Benzoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester

Benzoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester

C11H16O3Si (224.0868666)


   

Phosphonic acid, methyl-, 2-methylpropyl trimethylsilyl ester

Phosphonic acid, methyl-, 2-methylpropyl trimethylsilyl ester

C8H21O3PSi (224.0997526)


   

Benzoic acid, m-(trimethylsiloxy)-, methyl ester

Benzoic acid, m-(trimethylsiloxy)-, methyl ester

C11H16O3Si (224.0868666)


   

Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate

Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate

C12H16O4 (224.10485359999998)


   

3-Pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo-N-(trimethylsilyl)-

3-Pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo-N-(trimethylsilyl)-

C10H16N2O2Si (224.0980996)


   

Ethyl (3,5-dimethyl-4-methylthio)benzoate

Ethyl (3,5-dimethyl-4-methylthio)benzoate

C12H16O2S (224.0870956)


   

L-[(N-Hydroxyamino)carbonyl]phenylalanine

L-[(N-Hydroxyamino)carbonyl]phenylalanine

C10H12N2O4 (224.07970319999998)


   

(5R)-4-Hydroxy-3,5-dimethyl-5-[(1E,3E)-2-methylpenta-1,3-dienyl]thiophen-2(5H)-one

(5R)-4-Hydroxy-3,5-dimethyl-5-[(1E,3E)-2-methylpenta-1,3-dienyl]thiophen-2(5H)-one

C12H16O2S (224.0870956)


   

(S)-2-(Mercaptomethyl)-5-Phenylpentanoic Acid

(S)-2-(Mercaptomethyl)-5-Phenylpentanoic Acid

C12H16O2S (224.0870956)


   

d-[(n-Hydroxyamino)carbonyl]phenylalanine

d-[(n-Hydroxyamino)carbonyl]phenylalanine

C10H12N2O4 (224.07970319999998)


   

Karenzu DK2

1,3-di(phenyl)propane-1,3-dione

C15H12O2 (224.0837252)


Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1]. Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1].

   

AI3-00855

2-Propen-1-one,3-(2-hydroxyphenyl)-1-phenyl-, (2E)-

C15H12O2 (224.0837252)


2-hydroxychalcone, a natural flavonoid, is a potent antioxidant, inhibiting lipid peroxidation. 2-Hydroxychalcone induces apoptosis by Bcl-2 downregulation. 2-Hydroxychalcone inhibits the activation of NF-kB[1][2][3]. 2-hydroxychalcone, a natural flavonoid, is a potent antioxidant, inhibiting lipid peroxidation. 2-Hydroxychalcone induces apoptosis by Bcl-2 downregulation. 2-Hydroxychalcone inhibits the activation of NF-kB[1][2][3].

   

CHEBI:36105

(2R)-2-phenyl-2,3-dihydro-4H-chromen-4-one

C15H12O2 (224.0837252)


   

CHEBI:15606

(2S)-2-phenyl-2,3-dihydro-4H-chromen-4-one

C15H12O2 (224.0837252)


   

2,3-Dihydroxybutanedioic acid;propane-1,3-diamine

2,3-Dihydroxybutanedioic acid;propane-1,3-diamine

C7H16N2O6 (224.10083160000002)


   

7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1H-isochromen-6-one

7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1H-isochromen-6-one

C12H16O4 (224.10485359999998)


   

3-Hydroxy-kynurenine

3-Hydroxy-kynurenine

C10H12N2O4 (224.07970319999998)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

(2S,3R)-4-(2-aminophenyl)-2-amino-3-hydroxy-4-oxobutanoate

(2S,3R)-4-(2-aminophenyl)-2-amino-3-hydroxy-4-oxobutanoate

C10H12N2O4 (224.07970319999998)


   

(2S,3R)-2-amino-4-(2-aminophenyl)-3-hydroxy-4-oxobutanoic acid

(2S,3R)-2-amino-4-(2-aminophenyl)-3-hydroxy-4-oxobutanoic acid

C10H12N2O4 (224.07970319999998)


   

Senkyunolide H

(3Z)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

C12H16O4 (224.10485359999998)


Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1]. Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1]. Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2]. Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2].

   

(5Z,9Z)-4-hydroxy-12-methyl-1-oxacyclododeca-5,9-diene-2,8-dione

(5Z,9Z)-4-hydroxy-12-methyl-1-oxacyclododeca-5,9-diene-2,8-dione

C12H16O4 (224.10485359999998)


   

3,4,5-Trimethoxycinnamyl alcohol

3,4,5-Trimethoxycinnamyl alcohol

C12H16O4 (224.10485359999998)


   

(6aS,11aS)-pterocarpan

(6aS,11aS)-pterocarpan

C15H12O2 (224.0837252)


   

(6aR,11aR)-pterocarpan

(6aR,11aR)-pterocarpan

C15H12O2 (224.0837252)


   

(3S)-isoflavanone

(3S)-isoflavanone

C15H12O2 (224.0837252)


   

3-Methoxy-4-hydroxybenzoic acid tert-butyl ester

3-Methoxy-4-hydroxybenzoic acid tert-butyl ester

C12H16O4 (224.10485359999998)


   

2-(butylthio)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one

2-(butylthio)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one

C11H16N2OS (224.09832859999997)


   
   

5-hydroxy-L-kynurenine zwitterion

5-hydroxy-L-kynurenine zwitterion

C10H12N2O4 (224.07970319999998)


Tha amino acid zwitterion formed from 5-hydroxy-L-kynurenine by transfer of a proton from the carboxy to the amino group; principal microspecies at pH 7.3.

   

4-Hydroxy-5-(3-methoxyphenyl)pentanoic acid

4-Hydroxy-5-(3-methoxyphenyl)pentanoic acid

C12H16O4 (224.10485359999998)


   

3-[(3aS,4S,7aS)-1,5-dioxo-octahydroinden-4-yl]propanoic acid

3-[(3aS,4S,7aS)-1,5-dioxo-octahydroinden-4-yl]propanoic acid

C12H16O4 (224.10485359999998)


A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5 and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).

   

6-Methoxy-3-(3-methylbut-2-enyl)benzene-1,2,4-triol

6-Methoxy-3-(3-methylbut-2-enyl)benzene-1,2,4-triol

C12H16O4 (224.10485359999998)


   

7-Methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol

7-Methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol

C12H16O4 (224.10485359999998)


   

2-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methoxybenzene-1,3-diol

2-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methoxybenzene-1,3-diol

C12H16O4 (224.10485359999998)


   

2-[(3,3-Dimethyloxiran-2-yl)methyl]-5-methoxybenzene-1,3-diol

2-[(3,3-Dimethyloxiran-2-yl)methyl]-5-methoxybenzene-1,3-diol

C12H16O4 (224.10485359999998)


   

4-Methoxy-3-[(trimethylsilyl)oxy]benzaldehyde

4-Methoxy-3-[(trimethylsilyl)oxy]benzaldehyde

C11H16O3Si (224.0868666)


   

o-Vanillin, TMS derivative

o-Vanillin, TMS derivative

C11H16O3Si (224.0868666)


   

Trimethylsilyl 3-methoxybenzoate

Trimethylsilyl 3-methoxybenzoate

C11H16O3Si (224.0868666)


   

2-Hydroxy-5-methoxybenzaldehyde, TMS derivative

2-Hydroxy-5-methoxybenzaldehyde, TMS derivative

C11H16O3Si (224.0868666)


   

2-Hydroxy-4-methoxybenzaldehyde, TMS derivative

2-Hydroxy-4-methoxybenzaldehyde, TMS derivative

C11H16O3Si (224.0868666)


   

4-Hydroxy-2-methoxybenzaldehyde, TMS derivative

4-Hydroxy-2-methoxybenzaldehyde, TMS derivative

C11H16O3Si (224.0868666)


   

FLAVANONE (3,3-D2)

FLAVANONE (3,3-D2)

C15H12O2 (224.0837252)


   

2-Methoxy-3,7-bis(methoxymethyl)cyclohepta-2,4,6-trien-1-one

2-Methoxy-3,7-bis(methoxymethyl)cyclohepta-2,4,6-trien-1-one

C12H16O4 (224.10485359999998)


   

(4S,5S)-2-(2-Chloroethyl)-4,5-bis(methoxymethyl)-1,3-dioxolane

(4S,5S)-2-(2-Chloroethyl)-4,5-bis(methoxymethyl)-1,3-dioxolane

C9H17ClO4 (224.0815312)


   

(2S)-Flavanone

(2S)-Flavanone

C15H12O2 (224.0837252)


The (S)-enantiomer of flavanone.

   
   

Tetramethyluric acid

1,3,7,9-Tetramethyluric acid

C9H12N4O3 (224.0909362)


An oxopurine that is uric acid in which the hydrogens at positions 1,3,7 and 9 are replaced by methyl groups. It is a purine alkaloid that is found in Chinese tea known as kucha (Camellia assamica var. kucha) and exhibits anti-inflammatory and analgesic properties.

   

3-hydroxy-L-kynurenine zwitterion

3-hydroxy-L-kynurenine zwitterion

C10H12N2O4 (224.07970319999998)


Zwitterionic form of 3-hydroxy-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3

   

1-(2,4,5-trimethoxyphenyl)propan-2-one

1-(2,4,5-trimethoxyphenyl)propan-2-one

C12H16O4 (224.10485359999998)


   

1-(2,4,5-trimethoxyphenyl)propan-1-one

1-(2,4,5-trimethoxyphenyl)propan-1-one

C12H16O4 (224.10485359999998)


   

5-Hydroxykynurenine

5-Hydroxykynurenine

C10H12N2O4 (224.07970319999998)


A hydroxykynurenine that is kynurenine bearing a hydroxy group at the position 5.

   

4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol

4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol

C12H16O4 (224.10485359999998)


   

tert-butyl 4-hydroxy-3-methoxybenzoate

tert-butyl 4-hydroxy-3-methoxybenzoate

C12H16O4 (224.10485359999998)


A benzoate ester that is tert-butyl benzoate that carries a methoxy group at position 3 and a hydroxy group at position 4 of the phenyl ring.

   

2,4,6-trihydroxyphenylhexan-1-one

2,4,6-trihydroxyphenylhexan-1-one

C12H16O4 (224.10485359999998)


A 2-acylphloroglucinol in which the acyl group is specified as hexanoyl. It is the intermediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1).

   
   

8a-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-6-one

8a-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-6-one

C12H16O4 (224.10485359999998)


   

3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-5-(hydroxymethyl)-3h-oxepin-2-one

3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-5-(hydroxymethyl)-3h-oxepin-2-one

C12H16O4 (224.10485359999998)


   

(2e)-7-phenylhept-2-en-4,6-diyn-1-yl acetate

(2e)-7-phenylhept-2-en-4,6-diyn-1-yl acetate

C15H12O2 (224.0837252)


   

3-ethoxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one

3-ethoxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one

C12H16O4 (224.10485359999998)


   

2-[(1s)-1-phenylprop-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione

2-[(1s)-1-phenylprop-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione

C15H12O2 (224.0837252)


   

methyl 2-[(1r,2r)-3-methoxy-5-oxo-2-[(1z)-prop-1-en-1-yl]cyclopent-3-en-1-yl]acetate

methyl 2-[(1r,2r)-3-methoxy-5-oxo-2-[(1z)-prop-1-en-1-yl]cyclopent-3-en-1-yl]acetate

C12H16O4 (224.10485359999998)


   

6-[(2e)-4-hydroxypent-2-en-2-yl]-4-methoxy-3-methylpyran-2-one

6-[(2e)-4-hydroxypent-2-en-2-yl]-4-methoxy-3-methylpyran-2-one

C12H16O4 (224.10485359999998)


   

butyl 2,4-dihydroxy-6-methylbenzoate

butyl 2,4-dihydroxy-6-methylbenzoate

C12H16O4 (224.10485359999998)


   

4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one

4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one

C12H16O4 (224.10485359999998)


   

1-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)butane-2,3-diol

1-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)butane-2,3-diol

C12H16O4 (224.10485359999998)


   

methyl (3z,5e)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate

methyl (3z,5e)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate

C12H16O4 (224.10485359999998)


   

4-hydroxy-3-methyl-6-(3-methyl-2-oxopentyl)pyran-2-one

4-hydroxy-3-methyl-6-(3-methyl-2-oxopentyl)pyran-2-one

C12H16O4 (224.10485359999998)


   

5-hydroxy-2-(3-hydroxy-3-methylbut-1-en-1-yl)-5-methylcyclohex-2-ene-1,4-dione

5-hydroxy-2-(3-hydroxy-3-methylbut-1-en-1-yl)-5-methylcyclohex-2-ene-1,4-dione

C12H16O4 (224.10485359999998)


   

6-methoxy-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-1,8-diol

6-methoxy-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-1,8-diol

C12H16O4 (224.10485359999998)


   

(7r,8r,8as)-7,8-dihydroxy-3,4,7-trimethyl-8,8a-dihydro-1h-isochromen-6-one

(7r,8r,8as)-7,8-dihydroxy-3,4,7-trimethyl-8,8a-dihydro-1h-isochromen-6-one

C12H16O4 (224.10485359999998)


   

4-[2-(phenylmethylidene)hydrazin-1-yl]benzaldehyde

4-[2-(phenylmethylidene)hydrazin-1-yl]benzaldehyde

C14H12N2O (224.09495819999998)


   

methyl 2-{3-methoxy-5-oxo-2-[(1z)-prop-1-en-1-yl]cyclopent-3-en-1-yl}acetate

methyl 2-{3-methoxy-5-oxo-2-[(1z)-prop-1-en-1-yl]cyclopent-3-en-1-yl}acetate

C12H16O4 (224.10485359999998)


   

(3z,6s,7r)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

(3z,6s,7r)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

C12H16O4 (224.10485359999998)


   

(1s,3r)-6-methoxy-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-1,8-diol

(1s,3r)-6-methoxy-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-1,8-diol

C12H16O4 (224.10485359999998)


   

nitroso[(2,4,5-trimethoxyphenyl)methylidene]amine

nitroso[(2,4,5-trimethoxyphenyl)methylidene]amine

C10H12N2O4 (224.07970319999998)


   

(2s,3r)-2-(3,4-dimethoxyphenyl)oxolan-3-ol

(2s,3r)-2-(3,4-dimethoxyphenyl)oxolan-3-ol

C12H16O4 (224.10485359999998)


   

6-hydroxy-5-(1-hydroxy-2-oxopropyl)-4-(prop-1-en-1-yl)cyclohex-2-en-1-one

6-hydroxy-5-(1-hydroxy-2-oxopropyl)-4-(prop-1-en-1-yl)cyclohex-2-en-1-one

C12H16O4 (224.10485359999998)


   

1,2,4-trimethoxy-5-(E-3'-methyloxiranyl)benzene

NA

C12H16O4 (224.10485359999998)


{"Ingredient_id": "HBIN000669","Ingredient_name": "1,2,4-trimethoxy-5-(E-3'-methyloxiranyl)benzene","Alias": "NA","Ingredient_formula": "C12H16O4","Ingredient_Smile": "CC1C(O1)C2=CC(=C(C=C2OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34422","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxa-spiro[4,4]non-3-ene

AC1NSWAM; 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxa-spiro[4,4]non-3-ene; (8E)-8-hexa-2,4-diynylidenespiro[4.4]non-6-ene-4,9-dione

C15H12O2 (224.0837252)


{"Ingredient_id": "HBIN005671","Ingredient_name": "2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxa-spiro[4,4]non-3-ene","Alias": "AC1NSWAM; 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxa-spiro[4,4]non-3-ene; (8E)-8-hexa-2,4-diynylidenespiro[4.4]non-6-ene-4,9-dione","Ingredient_formula": "C15H12O2","Ingredient_Smile": "CC#CC#CC=C1C=CC2(C1=O)CCCC2=O","Ingredient_weight": "224.27","OB_score": "94.8200107","CAS_id": "NA","SymMap_id": "SMIT00884","TCMID_id": "31095","TCMSP_id": "MOL005216","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-[(2e)-2-(phenylmethylidene)hydrazin-1-yl]benzaldehyde

4-[(2e)-2-(phenylmethylidene)hydrazin-1-yl]benzaldehyde

C14H12N2O (224.09495819999998)


   

(6r,7r)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

(6r,7r)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

C12H16O4 (224.10485359999998)


   

7-phenylhept-2-en-4,6-diyn-1-yl acetate

7-phenylhept-2-en-4,6-diyn-1-yl acetate

C15H12O2 (224.0837252)


   

(2z,10z)-trideca-2,10,12-trien-4,6,8-triyn-1-yl acetate

(2z,10z)-trideca-2,10,12-trien-4,6,8-triyn-1-yl acetate

C15H12O2 (224.0837252)


   

(z)-nitroso[(2,4,5-trimethoxyphenyl)methylidene]amine

(z)-nitroso[(2,4,5-trimethoxyphenyl)methylidene]amine

C10H12N2O4 (224.07970319999998)


   

2-hydroxy-3-[(1-hydroxyethylidene)amino]-4-methoxybenzenecarboximidic acid

2-hydroxy-3-[(1-hydroxyethylidene)amino]-4-methoxybenzenecarboximidic acid

C10H12N2O4 (224.07970319999998)


   

(5s)-5-ethyl-4-hydroxy-3-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]thiophen-2-one

(5s)-5-ethyl-4-hydroxy-3-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]thiophen-2-one

C12H16O2S (224.0870956)


   

2-(dimethylamino)ethyl n-phenyl-1-sulfanylmethanimidate

2-(dimethylamino)ethyl n-phenyl-1-sulfanylmethanimidate

C11H16N2OS (224.09832859999997)


   

1-(3-amino-3-carboxylatopropyl)-3-carboxypyridin-1-ium

1-(3-amino-3-carboxylatopropyl)-3-carboxypyridin-1-ium

C10H12N2O4 (224.07970319999998)


   

(2e,10e)-trideca-2,10,12-trien-4,6,8-triyn-1-yl acetate

(2e,10e)-trideca-2,10,12-trien-4,6,8-triyn-1-yl acetate

C15H12O2 (224.0837252)


   

trideca-2,10,12-trien-4,6,8-triyn-1-yl acetate

trideca-2,10,12-trien-4,6,8-triyn-1-yl acetate

C15H12O2 (224.0837252)


   

(4r)-1-(3,5-dihydroxyphenyl)-4-methoxypentan-2-one

(4r)-1-(3,5-dihydroxyphenyl)-4-methoxypentan-2-one

C12H16O4 (224.10485359999998)


   

(1r,2r,4r,6s)-4-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)-3,7-dioxatricyclo[4.2.0.0²,⁴]octan-8-one

(1r,2r,4r,6s)-4-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)-3,7-dioxatricyclo[4.2.0.0²,⁴]octan-8-one

C12H16O4 (224.10485359999998)


   

(3r)-6,7-dimethoxy-3-methyl-3,4-dihydro-1h-2-benzopyran-8-ol

(3r)-6,7-dimethoxy-3-methyl-3,4-dihydro-1h-2-benzopyran-8-ol

C12H16O4 (224.10485359999998)


   

(3r,4s)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one

(3r,4s)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one

C12H16O4 (224.10485359999998)


   

(5r,6r)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one

(5r,6r)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one

C12H16O4 (224.10485359999998)


   

(4r,5r,6r)-6-hydroxy-5-(1-hydroxy-2-oxopropyl)-4-[(1e)-prop-1-en-1-yl]cyclohex-2-en-1-one

(4r,5r,6r)-6-hydroxy-5-(1-hydroxy-2-oxopropyl)-4-[(1e)-prop-1-en-1-yl]cyclohex-2-en-1-one

C12H16O4 (224.10485359999998)


   

(3s,3ar,7s,8as)-3,7-dimethyl-2-oxo-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-6-carboxylic acid

(3s,3ar,7s,8as)-3,7-dimethyl-2-oxo-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-6-carboxylic acid

C12H16O4 (224.10485359999998)


   

(7s,8s,8as)-7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1h-isochromen-6-one

(7s,8s,8as)-7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1h-isochromen-6-one

C12H16O4 (224.10485359999998)


   

5-{5-[(2s)-2-hydroxypropanoyl]furan-2-yl}pentan-2-one

5-{5-[(2s)-2-hydroxypropanoyl]furan-2-yl}pentan-2-one

C12H16O4 (224.10485359999998)


   

6,7-dimethoxy-3-methyl-3,4-dihydro-1h-2-benzopyran-8-ol

6,7-dimethoxy-3-methyl-3,4-dihydro-1h-2-benzopyran-8-ol

C12H16O4 (224.10485359999998)


   

1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methylpropan-1-one

1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methylpropan-1-one

C12H16O4 (224.10485359999998)


   

3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol

3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol

C12H16O4 (224.10485359999998)


   

(6r,7s)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

(6r,7s)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

C12H16O4 (224.10485359999998)


   

4-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)-3,7-dioxatricyclo[4.2.0.0²,⁴]octan-8-one

4-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)-3,7-dioxatricyclo[4.2.0.0²,⁴]octan-8-one

C12H16O4 (224.10485359999998)


   

3-(1-hydroxyethyl)-1,3,4,5-tetrahydro-2-benzoxepine-5,9-diol

3-(1-hydroxyethyl)-1,3,4,5-tetrahydro-2-benzoxepine-5,9-diol

C12H16O4 (224.10485359999998)


   

4-[(3s)-4-hydroxy-3-methylbutoxy]benzoic acid

4-[(3s)-4-hydroxy-3-methylbutoxy]benzoic acid

C12H16O4 (224.10485359999998)


   

(4r)-4-butanoyl-2,2-dimethylcyclohexane-1,3,5-trione

(4r)-4-butanoyl-2,2-dimethylcyclohexane-1,3,5-trione

C12H16O4 (224.10485359999998)


   

4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one

4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one

C12H16O4 (224.10485359999998)


   

(2s,3e)-4-(3,4-dimethoxyphenyl)but-3-ene-1,2-diol

(2s,3e)-4-(3,4-dimethoxyphenyl)but-3-ene-1,2-diol

C12H16O4 (224.10485359999998)


   

methyl (1r,2s)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate

methyl (1r,2s)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate

C12H16O4 (224.10485359999998)


   

methyl (1r,2s,3z,5e)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate

methyl (1r,2s,3z,5e)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate

C12H16O4 (224.10485359999998)


   

(3r,4s)-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-1-benzopyran-3,4-diol

(3r,4s)-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-1-benzopyran-3,4-diol

C12H16O4 (224.10485359999998)


   

butyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate

butyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate

C12H16O4 (224.10485359999998)


   

6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-1-benzopyran-3,4-diol

6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-1-benzopyran-3,4-diol

C12H16O4 (224.10485359999998)


   

2,3,6-trimethoxy-5-(prop-1-en-1-yl)phenol

2,3,6-trimethoxy-5-(prop-1-en-1-yl)phenol

C12H16O4 (224.10485359999998)


   

(4s,5s,6r)-6-hydroxy-5-(2-hydroxypropanoyl)-4-[(1e)-prop-1-en-1-yl]cyclohex-2-en-1-one

(4s,5s,6r)-6-hydroxy-5-(2-hydroxypropanoyl)-4-[(1e)-prop-1-en-1-yl]cyclohex-2-en-1-one

C12H16O4 (224.10485359999998)


   

(2r)-2-[(2s)-5-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]propane-1,2-diol

(2r)-2-[(2s)-5-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]propane-1,2-diol

C12H16O4 (224.10485359999998)