Exact Mass: 216.08112059999996
Exact Mass Matches: 216.08112059999996
Found 500 metabolites which its exact mass value is equals to given mass value 216.08112059999996,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nepodin
Nepodin is a member of naphthols. Nepodin is a natural product found in Rumex dentatus, Rumex alpinus, and other organisms with data available. Nepodin (Musizin) is a quinone oxidoreductase (PfNDH2) inhibitor isolate from Rumex crispus[1].Nepodin (Musizin) stimulates the translocation of GLUT4 to the plasma membrane by activation of AMPK[2].Nepodin (Musizin) has antidiabetic and antimalarial activities. Nepodin (Musizin) is a quinone oxidoreductase (PfNDH2) inhibitor isolate from Rumex crispus[1].Nepodin (Musizin) stimulates the translocation of GLUT4 to the plasma membrane by activation of AMPK[2].Nepodin (Musizin) has antidiabetic and antimalarial activities. Nepodin (Musizin) is a quinone oxidoreductase (PfNDH2) inhibitor isolate from Rumex crispus[1].Nepodin (Musizin) stimulates the translocation of GLUT4 to the plasma membrane by activation of AMPK[2].Nepodin (Musizin) has antidiabetic and antimalarial activities.
TERBACIL
C9H13ClN2O2 (216.06655080000002)
CONFIDENCE standard compound; INTERNAL_ID 1347; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4030 CONFIDENCE standard compound; INTERNAL_ID 1347; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4010; ORIGINAL_PRECURSOR_SCAN_NO 4007 CONFIDENCE standard compound; INTERNAL_ID 1347; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3993; ORIGINAL_PRECURSOR_SCAN_NO 3990 CONFIDENCE standard compound; INTERNAL_ID 1347; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4017; ORIGINAL_PRECURSOR_SCAN_NO 4012 CONFIDENCE standard compound; INTERNAL_ID 1347; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4003; ORIGINAL_PRECURSOR_SCAN_NO 3999 CONFIDENCE standard compound; INTERNAL_ID 1347; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4025; ORIGINAL_PRECURSOR_SCAN_NO 4024 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3179
4,4-Thiodianiline
C12H12N2S (216.07211519999998)
CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6420; ORIGINAL_PRECURSOR_SCAN_NO 6417 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6456; ORIGINAL_PRECURSOR_SCAN_NO 6453 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6267; ORIGINAL_PRECURSOR_SCAN_NO 6266 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6445; ORIGINAL_PRECURSOR_SCAN_NO 6442 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6454; ORIGINAL_PRECURSOR_SCAN_NO 6452 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6453; ORIGINAL_PRECURSOR_SCAN_NO 6451 CONFIDENCE standard compound; INTERNAL_ID 8111 CONFIDENCE standard compound; INTERNAL_ID 2429 CONFIDENCE standard compound; INTERNAL_ID 4143
3-methoxy-5-methyl-1-naphthoic acid
A naphthoic acid that is 1-naphthoic acid carrying additional methoxy and methyl substituents at positions 3 and 5 respectively.
O-Desmethylnaproxen
O-Desmethylnaproxen is only found in individuals that have used or taken Naproxen. O-Desmethylnaproxen is a metabolite of Naproxen. O-desmethylnaproxen belongs to the family of Phenylacetic Acid Derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.
L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid
L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is found in garden tomato (var.). L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is widespread in many foodstuffs especially fruit juices, jams and fermented foods or beverages. L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is formed by Pictet-Spengler condensation of L-tryptophan and formaldehyde in nature or during food processin Widespread in many foodstuffs especially fruit juices, jams and fermented foods or beverages. Formed by Pictet-Spengler condensation of L-tryptophan and formaldehyde in nature or during food processing. L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is found in garden tomato (variety).
Artemidinol
Artemidinol is found in herbs and spices. Artemidinol is a constituent of Artemisia dracunculus (tarragon)
(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one
(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one is found in fruits. (Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one is a constituent of Ficus carica (fig)
6-(3,4-Methylenedioxyphenyl)-3,5-hexadien-2-one
6-(3,4-Methylenedioxyphenyl)-3,5-hexadien-2-one is found in beverages. 6-(3,4-Methylenedioxyphenyl)-3,5-hexadien-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002
2-Phenylethyl 2-furancarboxylate
2-Phenylethyl 2-furancarboxylate is a flavouring ingredient. Flavouring ingredient
Ethyl 2-phenyl-3-furancarboxylate
Ethyl 2-phenyl-3-furancarboxylate is a flavouring ingredient. Flavouring ingredient
7-Methoxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Tazolol
C9H16N2O2S (216.09324360000002)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Isoketocamphoric acid
Isoketocamphoric acid, also known as isoketocamphate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Isoketocamphoric acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Isoketocamphoric acid can be found in common sage, which makes isoketocamphoric acid a potential biomarker for the consumption of this food product.
Mansouramycin A
A member of the class of isoquinolines that is 5,8-dihydroisoquinoline substituted by methyl, methyl, oxo, methylamino and oxo groups at positions 3, 4, 5, 7 and 8, respectively. It was isolated from Streptomyces Sp. strain Mei37 from North Sea coast, Germany.
Euparin
Euparin is a member of benzofurans. It has a role as a metabolite. Euparin is a natural product found in Eupatorium cannabinum, Liatris acidota, and other organisms with data available. A natural product found in Eupatorium cannabinum subspecies asiaticum.
3-Ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide
C7H12N4O4 (216.08585119999998)
2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11ah)-dione
4-Hydroxymethyl-1-azulenecarboxylic acid methyl ester
?-Methoxy-3-(tetrahydro-5-methoxy-4-methyl-3-furanyl)-2-propenoic acid
(3E,11E)-tridecadiene-6,8,10-triyne-1,2,13-triol|trans,trans-Tridecadien-(2,10)-triin-(4,6,8)-triol-(1,12,13)|trideca-3t,11t-diene-5,7,9-triyne-1,2,13-triol
6-acetoxy-4,5-dihydroxy-2-hydroxymethylcyclohex-2-enone
Noraucuparin
Noraucuparin is a natural product found in Berberis koreana with data available.
(2R,3R,5E)-5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid|5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
2-(Acetoxymethyl)-4,5,6-trihydroxy-2-cyclohexene-1-one
(2E)-3-[4-(buta-2,3-dienyl-1-oxy)-phenyl]prop-2-enoic acid|but-2,3-dienyl ether of p-hydroxycinnamic acid
Caerulomycin F
A pyridine alkaloid that is 2,2-bipyridine substituted at position 6 by a hydroxymethyl group and at position 4 by a methoxy group. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
7-(chloromethylidene)dec-4-enoic acid
C11H17ClO2 (216.09170120000002)
3-(Hydroxymethyl)-4-[1-(hydroxymethyl)-2-hydroxypropyl]-5,6-dihydro-2H-pyran-2-one
1-[2-(1-Methylene-2-hydroxyethyl)benzofuran-5-yl]ethanone
1,2,3,4-Tetrahydro-5-methoxy-1-oxo-beta-carboline|5-Methoxy-1-oxo-1,2,3,4-tetrahydro-beta-carbolin|5-methoxy-1-oxo-1,2,3,4-tetrahydro-beta-carboline|5-methoxy-1-oxo-tetrahydro-beta-carboline|5-Methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-on|5-methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-one
3-(Acetoxymethyl)-4,5,6-trihydroxy-2-cyclohexene-1-one
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid
2,3-dihydroxy-5-methoxybiphenyl
A natural product found in Rhaphiolepis indica var. tashiroi.
(R)-2,2-Dimethyl-3-(3-oxo-butyl)-bernsteinsaeure und cyclische Tautomere|(R)-2,2-dimethyl-3-(3-oxo-butyl)-succinic acid and cyclic tautomer(ic)
(+)-(2S,3S)-2,3-di-O-acetyl-2-C-methyl-D-erythrono-1,4-lactone|2,3-di-O-acetyl-2-C-methylerythrono-1,4-lactone
4-Formyl-antipyrine
CONFIDENCE standard compound; INTERNAL_ID 2667 CONFIDENCE standard compound; INTERNAL_ID 4107
1,2,3,4-Tetrahydro-6-Methoxy-1-oxo-beta-carboline
2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
C10H16O5_(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
cycloanthranilylproline
Organic chemicals, Polycyclic compounds, Anthracenes
Cymoxanil-TP IN-KQ960
C7H12N4O4 (216.08585119999998)
CONFIDENCE standard compound; UCHEM_ID 4210
6-[(Z)-2-methoxyethenyl]-7-methyl-2H-chromen-2-one
5-(3,6-dihydro-2h-thiopyran-4-yl)-1h-indazole
C12H12N2S (216.07211519999998)
1-BENZYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
5-methyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid
3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde
(S)-(+)-2,3-DIHYDRO-1H-PYRROLO[2,1-C][1,4]BENZODIAZEPINE-5,11(10H,11AH)-DIONE
6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
2,4-DIMETHOXYBENZAMIDINE HYDROCHLORIDE
C9H13ClN2O2 (216.06655080000002)
2-Naphthalenecarboxylic acid, 4-hydroxy-6-Methyl-, Methyl ester
3,4-Dimethoxybenzamidine hydrochloride
C9H13ClN2O2 (216.06655080000002)
(S)-4-(2-METHYLBUTYL)[1,1-BIPHENYL]-4-CARBONITRILE
Urea, N-(2-fluoroethyl)-N-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)- (9CI)
ethyl 5-amino-3-(2-hydroxyethoxy)-1,2-oxazole-4-carboxylate
C8H12N2O5 (216.07461819999997)
1-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
5-methyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
1-(4-FLUORO-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
C12H9FN2O (216.06988759999996)
4-(Pyridin-4-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
C12H12N2S (216.07211519999998)
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid
6-Ethoxy-2-naphthaleneboronic acid
C12H13BO3 (216.09576980000003)
(4-Fluoro-4-biphenylyl)boronic acid
C12H10BFO2 (216.07578420000002)
Ethyl 1-methyl-3-ethyl-4-chloro-5-pyrazolecarboxylate
C9H13ClN2O2 (216.06655080000002)
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
3,5-Dimethoxybenzenecarboximidamide Hydrochloride
C9H13ClN2O2 (216.06655080000002)
5-Amino-1-(2-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
Ethyl 2-(aminomethyl)isonicotinate hydrochloride
C9H13ClN2O2 (216.06655080000002)
4-[(Dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
4-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]morpholine
C9H13ClN2O2 (216.06655080000002)
4-chloro-1-methyl-3-(2-methylpropyl)-1h-pyrazole-5-carboxylic acid
C9H13ClN2O2 (216.06655080000002)
D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
1-METHYL-5-(P-TOLYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
(4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANAMINE
2-PHENYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE
C12H12N2S (216.07211519999998)
3-FURANCARBOXYLIC ACID, 2-METHYL-5-(4-METHYLPHENYL)-
2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbonitrile
(1alpha,2alpha,4alpha)-1,2,4-Cyclohexanetricarboxylic Acid
5-Amino-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
3-(2-OXO-2-PHENYLETHYL)-5,6-DIHYDROPYRAZIN-2(1H)-ONE
1-PHENYL-4-TRIMETHYLSILANYL-BUT-3-YN-2-ONE
C13H16OSi (216.09703659999997)
2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-1-CARBOXYLIC ACID
1,2,3,4-Tetrahydro-β-carboline-1-carboxylic acid is a chemical used on the study of neurodegenerative diseases[1].
(S)-2-(2-BROMOPHENYL)-4-ISOPROPYL-4,5-DIHYDROOXAZOLE
Ethyl 4-hydrazinobenzoate hydrochloride (1:1)
C9H13ClN2O2 (216.06655080000002)
N-(2-furoyl)piperazine Hydrochloride
C9H13ClN2O2 (216.06655080000002)
(S)-3-AMINO-3-(3,4-METHYLENEDIOXYPHENYL)PROPIONICACID
C9H13ClN2O2 (216.06655080000002)
2H-1-Benzopyran-2-one,4-methyl-7-(2-propen-1-yloxy)-
1H-Imidazole-5-carboxylicacid, 1-(phenylmethyl)-, methyl ester
4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-amine
C12H12N2S (216.07211519999998)
Ethanone, 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)- (9CI)
C11H11F3O (216.07619519999997)
8-METHOXY-2,3-DIHYDROCYCLOPENTA[C]CHROMEN-4(1H)-ONE
3-Amino-2-hydroxy-N,N-dimethylbenzamide hydrochloride
C9H13ClN2O2 (216.06655080000002)
2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone
C11H11F3O (216.07619519999997)
2,2,2-TRIFLUORO-2,4,6-TRIMETHYLACETOPHENONE
C11H11F3O (216.07619519999997)
5-METHYL-2-PHENYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
2-Ethoxy-1-naphthaleneboronic acid
C12H13BO3 (216.09576980000003)
Methyl 1-allyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
2,3-dimethoxybenzenecarboximidamide
C9H13ClN2O2 (216.06655080000002)
Benzene,1,1-[(1E)-1,2-difluoro-1,2-ethenediyl]bis-
2-Naphthalenecarboxylicacid, 3-methoxy-, methyl ester
3-Piperidinecarboxylic acid,1-(aminothioxomethyl)-,ethyl ester
C9H16N2O2S (216.09324360000002)
Ethanone, 2,2,2-trifluoro-1-[4-(1-methylethyl)phenyl]- (9CI)
C11H11F3O (216.07619519999997)
N,N-Dimethyl-1-(morpholin-2-yl)methanamine dihydrochloride
Lithium (1,2-ethanediolato-O)bis[1,2-ethanediolato(2-)-O,O]silicate
3-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
3-(2,4-DIMETHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
4-CHLORO-1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
C9H13ClN2O2 (216.06655080000002)
5-(2-METHYL-1,3-THIAZOL-4-YL)INDOLINE
C12H12N2S (216.07211519999998)
6-(3,6-dihydro-2h-thiopyran-4-yl)-1h-indazole
C12H12N2S (216.07211519999998)
FURAN-2-CARBOXYLIC ACID (5-AMINO-2-METHYL-PHENYL)-AMINO
tert-Butyl 4-(chloromethyl)imidazole-1-carboxylate
C9H13ClN2O2 (216.06655080000002)
Piperazine,1-(4-fluorophenyl)-, hydrochloride (1:1)
3-Phosphorincarbonitrile,4-amino-1,2,5,6-tetrahydro-1-phenyl-
1-(Cyclopropylmethoxy)-3-(trifluoromethyl)benzene
C11H11F3O (216.07619519999997)
Carbamic acid, (3-isothiocyanatopropyl)-, 1,1-dimethylethyl ester (9CI)
C9H16N2O2S (216.09324360000002)
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
5-(4-METHYLPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
1-phenyl-1H-Imidazole-2-carboxylic acid ethyl ester
1H-Imidazole-5-carboxylicacid,4-methyl-1-(phenylmethyl)-(9CI)
Pyridinium, 1-(4-sulfobutyl)-, 4-methylbenzenesulfonate
N-Methyl-4-nitrophenethylamine hydrochloride
C9H13ClN2O2 (216.06655080000002)
1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol
C11H11F3O (216.07619519999997)
2-Naphthalenecarboxylic acid, 4-Methoxy-, Methyl ester
2,6-Diamino-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid
C8H12N2O5 (216.07461819999997)
A monocarboxylic acid amide obtained by the formal condensation of the terminal amino group of 3-amino-L-alanine with the carboxy group of (2E)-4-methoxy-4-oxobut-2-enoic acid.
(R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid
(Z)-2-cyano-3-(4-ethylphenyl)prop-2-enethioamide
C12H12N2S (216.07211519999998)
Silane, trimethyl(2-naphthalenyloxy)-
C13H16OSi (216.09703659999997)
Silane, trimethyl(1-naphthalenyloxy)-
C13H16OSi (216.09703659999997)
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoic acid
C8H12N2O5 (216.07461819999997)
(R)-3-(indol-3-yl)-2-oxobutyrate
A 2-oxo monocarboxylic acid anion that is the conjugate base of (R)-3-(indol-3-yl)-2-oxobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5-Amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
2-[(Z)-hydroxyiminomethyl]-5,7-dimethylquinolin-8-ol
(2S)-2-[(E)-(acetylhydrazinylidene)methyl]pentanedioic acid
C8H12N2O5 (216.07461819999997)
(E)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-enoic acid
1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid
A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group.
(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one
Desmethylnaproxen
A member of the class of naphthols that is naproxen in which the 6-methoxy group has been demethylated.
(6-methoxy-2-naphthyl)acetic acid
A monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone.
3-[4-(buta-2,3-dien-1-yloxy)phenyl]prop-2-enoic acid
(4e)-7-(chloromethylidene)dec-4-enoic acid
C11H17ClO2 (216.09170120000002)
(6r)-6-[(2r,3r)-3-phenyloxiran-2-yl]-5,6-dihydropyran-2-one
(2e)-3-[4-(buta-2,3-dien-1-yloxy)phenyl]prop-2-enoic acid
(6r)-6-[(2s,3r)-3-phenyloxiran-2-yl]-5,6-dihydropyran-2-one
8-hydroxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
3-methyl-5-(prop-1-en-2-yl)-1-benzofuran-7-carboxylic acid
3,7-dimethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),9-tetraen-11-one
3-methyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaene-4,7-diol
2,3,4,9-tetrahydro-pyrido-1H--(3,4b)- indole-3-carboxylic acid
{"Ingredient_id": "HBIN003866","Ingredient_name": "2,3,4,9-tetrahydro-pyrido-1H--(3,4b)- indole-3-carboxylic acid","Alias": "NA","Ingredient_formula": "C12H12N2O2","Ingredient_Smile": "C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42106","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-epoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nonane
{"Ingredient_id": "HBIN007471","Ingredient_name": "3,4-epoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nonane","Alias": "NA","Ingredient_formula": "C13H12O3","Ingredient_Smile": "NA","Ingredient_weight": "216.236","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8273","PubChem_id": "NA","DrugBank_id": "NA"}
(-)-(3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid
{"Ingredient_id": "HBIN009593","Ingredient_name": "(-)-(3S)-1,2,3,4-tetrahydro-\u03b2-carboline-3-carboxylic acid","Alias": "NA","Ingredient_formula": "C12H12N2O2","Ingredient_Smile": "C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40774","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-(2-methoxy-z-vinyl)-7-methyl-pyranocoumarin
{"Ingredient_id": "HBIN012011","Ingredient_name": "6-(2-methoxy-z-vinyl)-7-methyl-pyranocoumarin","Alias": "NA","Ingredient_formula": "C13H12O3","Ingredient_Smile": "CC1=C(C=C2C=CC(=O)OC2=C1)C=COC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14097","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5r)-3-[(1e)-2-(4-hydroxyphenyl)ethenyl]-5-methyl-5h-furan-2-one
(1s,5r,6r)-5,6-dihydroxy-3-(hydroxymethyl)-4-oxocyclohex-2-en-1-yl acetate
(6r)-6-[(2r,3s)-3-phenyloxiran-2-yl]-5,6-dihydropyran-2-one
(2e)-3-{4-hydroxy-3-[(1e)-3-oxobut-1-en-1-yl]phenyl}prop-2-enal
(5s,6r)-5-hydroxy-3-[(1s,2r)-2-hydroxy-1-methoxypropyl]-6-methyl-5,6-dihydropyran-2-one
(3,4,5-trihydroxy-6-oxocyclohex-1-en-1-yl)methyl acetate
1-[4-hydroxy-2-(prop-1-en-2-yl)-1-benzofuran-5-yl]ethanone
[(3s,4s,5r)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-yl]methyl acetate
(2s)-2-amino-3-{[(2e)-1-hydroxy-4-methoxy-4-oxobut-2-en-1-ylidene]amino}propanoic acid
C8H12N2O5 (216.07461819999997)