Exact Mass: 222.0252256
Exact Mass Matches: 222.0252256
Found 500 metabolites which its exact mass value is equals to given mass value 222.0252256,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isofraxidin
Isofraxidin, also known as 6,8-dimethoxy-7-hydroxycoumarin or 7-hydroxy-6,8-dimethoxy-2h-1-benzopyran-2-one, is a member of the class of compounds known as 7-hydroxycoumarins. 7-hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. Isofraxidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isofraxidin can be found in muskmelon, tarragon, and watermelon, which makes isofraxidin a potential biomarker for the consumption of these food products. Isofraxidin is a chemical compound found in a variety of plants including Eleutherococcus senticosus . Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].
Fraxidin
Fraxidin is a hydroxycoumarin. Fraxidin is a natural product found in Artemisia minor, Melilotus messanensis, and other organisms with data available. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2344 Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2]. Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2].
2-succinylbenzoate
O-succinylbenzoate, also known as 4-(2-carboxyphenyl)-4-oxobutyric acid or 2-(3-carboxypropionyl)benzoic acid, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. O-succinylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). O-succinylbenzoate can be synthesized from benzoic acid. O-succinylbenzoate can also be synthesized into 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA. O-succinylbenzoate can be found in a number of food items such as nectarine, green bean, japanese persimmon, and rye, which makes O-succinylbenzoate a potential biomarker for the consumption of these food products. O-succinylbenzoate may be a unique E.coli metabolite.
6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid
Bromisoval
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic Same as: D01391
2,4'-Dichlorobiphenyl
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
4,4-PCB
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
2,6-Dichlorobiphenyl
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
PCB 14
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
Tert-Butylbicyclophosphorothionate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
3-Deoxy-D-Lyxo-Heptopyran-2-ularic Acid
Isofraxidin
Isofraxidin is a hydroxycoumarin. Isofraxidin is a natural product found in Artemisia alba, Artemisia assoana, and other organisms with data available. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].
Fraxinol
Fraxinol is isolated from Lobelia chinensis[1]. Fraxinol is isolated from Lobelia chinensis[1].
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate is a flavouring agent with hydrolysed vegetable-type aroma and flavour. Flavouring agent with hydrolysed vegetable-type aroma and flavour
2-Hydroxy-5-(trifluoromethoxy)benzoic Acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-Thenoyltrifluoroacetone
D064449 - Sequestering Agents > D002614 - Chelating Agents
3,3'-Dichlorobiphenyl
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
N-Chlorothylnitrosourea sarcosinamide
D000970 - Antineoplastic Agents
N-(Tetrahydro-2-oxo-3-thienyl)-3-pyridinecarboxamide
p-Coumaroyl glycolic acid
P-coumaroyl glycolic acid is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. P-coumaroyl glycolic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). P-coumaroyl glycolic acid can be found in lentils, which makes P-coumaroyl glycolic acid a potential biomarker for the consumption of this food product.
Fraxinol
Fraxinol is a member of the class of compounds known as hydroxycoumarins. Hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Fraxinol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Fraxinol can be found in sour cherry, which makes fraxinol a potential biomarker for the consumption of this food product. Fraxinol is a natural product found in Elsholtzia bodinieri, Prunus prostrata, and other organisms with data available. Fraxinol is isolated from Lobelia chinensis[1]. Fraxinol is isolated from Lobelia chinensis[1].
Umckalin
Umckalin is a natural product found in Allamanda blanchetii, Diatenopteryx sorbifolia, and other organisms with data available.
6-Amino-4-(methylthio)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
3,4-dihydro-8-hydroxy-3-methyl-1 h -2-benzopyran-1-one-5-carboxylic acid
(+-)-2c-Chlor-1-hydroxy-cyclohexan-dicarbonsaeure-(1r.2t)|(+-)-2c-chloro-1-hydroxy-cyclohexane-dicarboxylic acid-(1r.2t)
Pisonin A
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.
(E)-3-methoxy-2-[3,4-(methylenedioxy)phenyl]propenoic acid
4-hydroxymethyl-5-(5-hydroxymethylfuran-2-ylmethylene)-5H-furan-2-one|ellipsoidone A
Arteminin
Arteminin is a natural product found in Artemisia apiacea and Artemisia carvifolia with data available.
Pisonin B
A member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7, a methoxy groups at position 6 and a methyl group at position 2. Isolated from Pisonia aculeata, it exhibits antitubercular activity.
methyl (3R)-3,4-dihydro-8-hydroxyisocoumarin-3-carboxylate|tenuissimasatin
6,7,9-Trihydroxy-3-methylcyclohepta[c]pyran-8(1H)-one
2,3,5,8-tetrahydroxy-1,4-naphthoquinone|2,3,5,8-Tetrahydroxy-[1,4]naphthochinon|2,3,5,8-tetrahydroxy-[1,4]naphthoquinone|2,3-Dihydroxy-naphthazarin|2,3-dihydroxynaphthazarin|spinazarin|spinazarine
(Z)-2-<(4-hydroxyphenyl)methyl>but-2-enedioic acid
2-Quinoxalinecarboxylic acid, 6-chloro-, methyl ester
Tomentin
5-Hydroxy-6,7-dimethoxychromen-2-one is a natural product found in Artemisia capillaris, Artemisia annua, and Artemisia monosperma with data available.
Isofraxidin
Annotation level-1 Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].
8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid
6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one
Fraxidin
Fraxidin is a hydroxycoumarin. Fraxidin is a natural product found in Artemisia minor, Melilotus messanensis, and other organisms with data available. Fraxidin, also known as 8-hydroxy-6,7-dimethoxy-2h-1-benzopyran-2-one, is a member of the class of compounds known as hydroxycoumarins. Hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Fraxidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Fraxidin can be found in durian and watermelon, which makes fraxidin a potential biomarker for the consumption of these food products. Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2]. Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].
3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-one
C9H6ClF3O (222.00592519999998)
1-(2-chloro-6-methylphenyl)-2,2,2-trifluoroethanone
C9H6ClF3O (222.00592519999998)
METHYL 2-HYDROXY-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
Butanoic acid,2-bromo-, butyl ester
C8H15BrO2 (222.02553500000002)
Cyclonite
D010575 - Pesticides > D012378 - Rodenticides D053834 - Explosive Agents D016573 - Agrochemicals
1h-benzimidazole-5-carboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester
Butanoic acid,2-bromo-3,3-dimethyl-, ethyl ester
C8H15BrO2 (222.02553500000002)
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
1-(2-Chloro-4-(trifluoromethyl)phenyl)ethanone
C9H6ClF3O (222.00592519999998)
ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
2-Chloro-4-(1h-pyrazol-1-yl)benzenecarboxylic acid
2-Chloro-5-(trifluoromethyl)acetophenone
C9H6ClF3O (222.00592519999998)
4-Chloro-3-(trifluoromethyl)acetophenone
C9H6ClF3O (222.00592519999998)
(5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHANOL
C11H11ClN2O (222.05598659999998)
2-(1H-IMIDAZOL-2-YL)-1-PHENYLETHANONE HYDROCHLORIDE
C11H11ClN2O (222.05598659999998)
2-CHLORO-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBALDEHYDE
2,2,2-Trifluoro-1-(3-fluoro-5-methoxyphenyl)ethanone
1-[2-(METHYLTHIO)-5-(TRIFLUOROMETHYL)PHENYL!HYDRAZINE, TECH
1,2-Benzisoxazole-3-carboxylicacid, 6-nitro-, methyl ester
(S)-2-Pyridylthiocysteamine hydrochloride
C7H11ClN2S2 (222.00521559999999)
6-(Chloromethyl)-2-(2-pyrazinyl)-4(3H)-pyrimidinone
C9H7ClN4O (222.03083619999998)
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
C9H6ClF3O (222.00592519999998)
1-ETHYL-3,5-DIMETHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE
2-(4-bromobutyl)-2-methyl-1,3-dioxolane
C8H15BrO2 (222.02553500000002)
Trimethylsilyl trifluoromethanesulfonate
C4H9F3O3SSi (221.99937599999998)
4-(Trifluoromethyl)quinoline-2-carbonitrile
C11H5F3N2 (222.04048059999997)
2-(Pyridyldithio)ethylamine (hydrochloride)
C7H11ClN2S2 (222.00521559999999)
methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
C9H12Cl2O2 (222.02143120000002)
[3-hydroxy-5-(trifluoromethoxy)phenyl]boronic acid
ETHYL 2-(2-AMINO-1,3-THIAZOL-4-YL)ACETATE HYDROCHLORIDE
6-amidino-2-naphthol, hydrochloride
C11H11ClN2O (222.05598659999998)
Methyl(2-(3-cyclohexenyl)ethyl)dichlorosilane
C9H16Cl2Si (222.03982760000002)
ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate,hydrochloride
6-BROMO-INDAN-1-YLAMINEHYDROCHLORIDE
C11H11ClN2O (222.05598659999998)
2-methoxy-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
4-Methyl-3-(trifluoromethyl)benzoyl chloride
C9H6ClF3O (222.00592519999998)
7-Chloro-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C10H4ClFN2O (221.99961759999997)
5-(2,2,2-Trifluoroacetamido)-1H-pyrazole-4-carboxamide
3-CHLORO-5-(TRIFLUOROMETHYL)ACETOPHENONE
C9H6ClF3O (222.00592519999998)
3-(TRIFLUOROMETHYL)PHENYLACETYL CHLORIDE
C9H6ClF3O (222.00592519999998)
3-(2-Chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one
C11H11ClN2O (222.05598659999998)
(S)-2-AMINO-3-(4-HYDROXY-2,6-DIMETHYLPHENYL)PROPANOICACIDHYDROCHLORIDE
METHYL 4-(METHYLTHIO)-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLATE
3-(4-Chlorophenyl)-5-propyl-1,2,4-oxadiazole
C11H11ClN2O (222.05598659999998)
4-Chloro-7-fluoro-6-hydroxy-3-quinolinecarbonitrile
C10H4ClFN2O (221.99961759999997)
2-TRIFLUOROMETHYLQUINOLINE-6-CARBONITRILE
C11H5F3N2 (222.04048059999997)
2-(3-TRIFLUOROBENZYLIDENE)-MALONONITRILE
C11H5F3N2 (222.04048059999997)
(1-(4-Chlorobenzyl)-1H-imidazol-2-yl)methanol
C11H11ClN2O (222.05598659999998)
METHYL 4-(METHYLTHIO)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
1,3-DIHYDRO-IMIDAZOL-2-ONE-5-(3-FLUORO) PHENYL-4-CARBOXYLIC ACID
2-CHLORO-3-METHYL-6-(PYRIMIDIN-4-YL)PYRIMIDIN-4(3H)-ONE
C9H7ClN4O (222.03083619999998)
6,7-DIHYDRO-2H,5H,5H-SPIRO[1-BENZOTHIOPHENE-4,4-IMIDAZOLIDINE]-2,5-DIONE
2-(4-ACETAMINO-3-CHLOROPHENYL)PROPIONITRILE
C11H11ClN2O (222.05598659999998)
2-BROMOISOBUTYRIC ACID N-BUTYL ESTER
C8H15BrO2 (222.02553500000002)
5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione
5-Chloro-N-cyclopropyl-3-fluoropyridin-2-amine hydrochloride
C8H9Cl2FN2 (222.01267860000002)
4-Chloro-N-(4-cyanophenyl)butanamide
C11H11ClN2O (222.05598659999998)
(S)-2-(3-BROMOPROPYL)-1,1-DIMETHYLCYCLOPROPANE
C8H15BrO2 (222.02553500000002)
5-Bromopentanoic acid, isopropyl ester
C8H15BrO2 (222.02553500000002)
7-Benzothiazolecarboxylicacid,2-amino-,ethylester(9CI)
7-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
O-[4-nitro-2-(trifluoromethyl)phenyl]hydroxylamine
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-2-amine dihydrochloride
4-Hydroxy-1H-pyrrolo[2,3-b]pyridine-2,3-dicarboxylic acid
2-(4-TRIFLUOROBENZYLIDENE)-MALONONITRILE
C11H5F3N2 (222.04048059999997)
2,3-Dichlorobiphenyl
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)BENZOYL CHLORIDE 97+
[1]Benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6,7,8-tetrahydro-
6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane
C8H15BrO2 (222.02553500000002)
2-(3-Bromopropoxy)tetrahydro-2H-pyran
C8H15BrO2 (222.02553500000002)
[2-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]amine hydrochloride
2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
Methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
n-(2-chloropyridin-3-yl)-1h-imidazole-5-carboxamide
C9H7ClN4O (222.03083619999998)
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone
Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate
METHYL 7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE
2-chloro-1-[3-(trifluoromethyl)phenyl]ethanone
C9H6ClF3O (222.00592519999998)
2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile
4,6(1H,5H)-Pyrimidinedione,5-(2-furanylmethylene)dihydro-2-thioxo-
1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethanone
C9H6ClF3O (222.00592519999998)
1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE
Sarmustine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid
8-Hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid
Phytodolor
Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].
1,1,1-Trifluoro-4-hydroxy-4-(2-thienyl)-3-buten-2-one
2-[(Z)-3-carboxy-3-oxoprop-1-enyl]-5-methyl-6-oxo-1H-pyridin-3-olate
C10H8NO5- (222.04024579999998)
(3R)-4-(2-aminophenyl)-3-hydroxy-2,4-dioxobutanoate
C10H8NO5- (222.04024579999998)
(2S,4R,5R,6S)-2,4,5-trihydroxyoxane-2,6-dicarboxylic acid
7,8-Dihydro-7,8-dihydroxykynurenate
C10H8NO5- (222.04024579999998)
Se-butyl pentaneselenoate
An organoselenium compound obtained by the formal condensation of butane-1-selenol with pentanoic acid.
1-(2-Thienyl)-3-hydroxy-4,4,4-trifluoro-2-butene-1-one
(E)-3-(6-hydroxy-7-methoxy-1,3-benzodioxol-5-yl)prop-2-enal
(E)-3-(7-hydroxy-6-methoxy-1,3-benzodioxol-5-yl)prop-2-enal
Tert-Butylbicyclophosphorothionate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
2,6-PCB
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate
A dioxo monocarboxylic acid anion that is the conjugate base of 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid resulting from the deprotonation of the carboxy group. Major species at pH 7.3.
5,6-dihydroxy-4-(hydroxymethyl)-2-methylcyclohepta[b]furan-7-one
[(3z)-3-(chloromethylidene)-2h-1-benzoxepin-7-yl]methanol
(2z)-2-[(4-hydroxyphenyl)methyl]but-2-enedioic acid
methyl (3r,4r,5s,6r)-6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
7-hydroxy-5-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carbaldehyde
(5z)-4-(hydroxymethyl)-5-{[5-(hydroxymethyl)furan-2-yl]methylidene}furan-2-one
6-hydroxy-3-(hydroxymethyl)-8-methoxyisochromen-1-one
4-o-acetyl-caffeic acid
{"Ingredient_id": "HBIN010738","Ingredient_name": "4-o-acetyl-caffeic acid","Alias": "NA","Ingredient_formula": "C11H10O5","Ingredient_Smile": "CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)O","Ingredient_weight": "222.19 g/mol","OB_score": "31.73730167","CAS_id": "NA","SymMap_id": "SMIT12835","TCMID_id": "NA","TCMSP_id": "MOL012019","TCM_ID_id": "NA","PubChem_id": "14818630","DrugBank_id": "NA"}
5,6-dimethoxy-7-hydroxycoumarin
{"Ingredient_id": "HBIN011142","Ingredient_name": "5,6-dimethoxy-7-hydroxycoumarin","Alias": "NA","Ingredient_formula": "C11H10O5","Ingredient_Smile": "COC1=C2C=CC(=O)OC2=CC(=C1OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6235","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-6,8-dimethoxy coumarin
{"Ingredient_id": "HBIN013251","Ingredient_name": "7-hydroxy-6,8-dimethoxy coumarin","Alias": "NA","Ingredient_formula": "C11H10O5","Ingredient_Smile": "COC1=C(C(=C2C(=C1)C(=O)C=CO2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10016","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}