Exact Mass: 222.03982760000002
Exact Mass Matches: 222.03982760000002
Found 500 metabolites which its exact mass value is equals to given mass value 222.03982760000002,
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
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].
1-(1-Propenylthio)propyl propyl disulfide
1-(1-Propenylthio)propyl propyl disulfide is found in onion-family vegetables. 1-(1-Propenylthio)propyl propyl disulfide is a constituent of Allium fistulosum (Welsh onion). Constituent of Allium fistulosum (Welsh onion). 1-(1-Propenylthio)propyl propyl disulfide is found in onion-family vegetables.
(E)-1-Propenyl 1-(propylthio)propyl disulfide
(Z)-1-Propenyl 1-(propylthio)propyl disulfide is found in onion-family vegetables. (Z)-1-Propenyl 1-(propylthio)propyl disulfide is a constituent of Allium fistulosum (Welsh onion). Constituent of Allium fistulosum (Welsh onion). (E)-1-Propenyl 1-(propylthio)propyl disulfide is found in onion-family vegetables.
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
2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane
2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane is a flavouring ingredient. Flavouring ingredient
2,4,6-Triethyl-1,3,5-trithiane
2,4,6-Triethyl-1,3,5-trithiane is a component of synthetic onion aroma obtained from propanal, H2S and NH3. Component of synthetic onion aroma obtained from propanal, H2S and NH3
Dioxidine
D009676 - Noxae > D009153 - Mutagens D000890 - Anti-Infective Agents
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.
8-Chloro-6-chloromethyl-2-methyl-2,6-octadien-1-ol
C10H16Cl2O (222.05781459999997)
(Z)-(-)-8-Chloro-6-chloromethyl-2-methyl-1,6-octadien-3-ol
C10H16Cl2O (222.05781459999997)
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].
(E)-1-Propenyl 1-(propylthio)propyl disulfide
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)
2,2,2-trifluoro-1-(4-isocyanatopiperidin-1-yl)ethanone
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
2,2-DIMETHYL-7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
2-Chloro-4-(1h-pyrazol-1-yl)benzenecarboxylic acid
(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)
4-Methoxybenzenediazonium tetrafluoroborate
C7H7BF4N2O (222.05875299999997)
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
4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)-
Ethyl 1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylate
hexamethylcyclotrisiloxane
C6H18O3Si3 (222.05637180000002)
D001697 - Biomedical and Dental Materials
1,2-Benzisoxazole-3-carboxylicacid, 6-nitro-, methyl ester
6-(Chloromethyl)-2-(2-pyrazinyl)-4(3H)-pyrimidinone
C9H7ClN4O (222.03083619999998)
1-ETHYL-3,5-DIMETHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE
2-(4-bromobutyl)-2-methyl-1,3-dioxolane
C8H15BrO2 (222.02553500000002)
4-(Trifluoromethyl)quinoline-2-carbonitrile
C11H5F3N2 (222.04048059999997)
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)
1-(2,4-DIFLUOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
C11H8F2N2O (222.06046619999998)
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)
Ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
2-methoxy-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
5-(2,2,2-Trifluoroacetamido)-1H-pyrazole-4-carboxamide
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)
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-ALLYL-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3(2H)-ONE
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
4-Chloro-N-(4-cyanophenyl)butanamide
C11H11ClN2O (222.05598659999998)
4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
4-amino-5-(2-methoxyphenyl)-2H-1,2,4-triazole-3-thione
(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
(5aS,10aS)-1H,5H-Dihydro-dipyrrolo[1,2-a:1,2-d]pyrazine-3,5,8,10(2H,5aH,10aH)-tetrone
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-2-amine dihydrochloride
4-(4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-butanone
C11H11ClN2O (222.05598659999998)
4-Hydroxy-1H-pyrrolo[2,3-b]pyridine-2,3-dicarboxylic acid
2-(4-TRIFLUOROBENZYLIDENE)-MALONONITRILE
C11H5F3N2 (222.04048059999997)
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
4-(4-chlorophenoxy)-3,5-dimethyl-1h-pyrazole
C11H11ClN2O (222.05598659999998)
1-(7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ETHENOL
5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane
C8H15BrO2 (222.02553500000002)
2-(3-Bromopropoxy)tetrahydro-2H-pyran
C8H15BrO2 (222.02553500000002)
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[2-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]amine hydrochloride
(4-chloro-3-(o-tolyl)-1H-pyrazol-5-yl)Methanol
C11H11ClN2O (222.05598659999998)
2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
Methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
5-(3-Chloropropyl)-3-phenyl-1,2,4-oxadiazole
C11H11ClN2O (222.05598659999998)
n-(2-chloropyridin-3-yl)-1h-imidazole-5-carboxamide
C9H7ClN4O (222.03083619999998)
4-(3-FURAN-2-YL-[1,2,4]OXADIAZOL-5-YL)-BUTYRIC ACID
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone
2,2-DIMETHYL-7-NITRO-2H-BENZO[E][1,3]OXAZIN-4(3H)-ONE
Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate
METHYL 7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE
3-amino-2-(2,4-difluorophenoxy)pyridine
C11H8F2N2O (222.06046619999998)
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
3-[(mesyloxy)methyl]-5,5-dimethyldihydro-2(3H)-furanone
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].
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.
(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
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.
GPCR agonist-2
GPCR agonist-2 (Compound 5j) is a GPCR GPR109b (HM74) agonist, with a pEC50 value of 6.51. GPCR agonist-2 can be used for research of lipid disorders[1].
5,6-dihydroxy-4-(hydroxymethyl)-2-methylcyclohepta[b]furan-7-one
(3'r)-5'-hydroxy-5-(hydroxymethyl)-2'-oxo-3',4'-dihydro-[1,3'-bipyrrole]-2-carbaldehyde
[(3z)-3-(chloromethylidene)-2h-1-benzoxepin-7-yl]methanol
(3r,6z)-8-chloro-6-(chloromethyl)-2-methylocta-1,6-dien-3-ol
C10H16Cl2O (222.05781459999997)
(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
1-propenyl 1-(propylthio)propyl disulfide,9ci; (z)-form
{"Ingredient_id": "HBIN002998","Ingredient_name": "1-propenyl 1-(propylthio)propyl disulfide,9ci; (z)-form","Alias": "NA","Ingredient_formula": "C9H18S3","Ingredient_Smile": "NA","Ingredient_weight": "222.43","OB_score": "NA","CAS_id": "137363-92-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9106","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
6-hydroxy-3-(hydroxymethyl)-8-methoxychromen-2-one
methyl (3r,4r,5r,6s)-6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
methyl 2-[(1s)-4-hydroxy-3-oxo-1h-2-benzofuran-1-yl]acetate
(4e)-2-hydroxy-5-(4-hydroxyphenyl)-3-oxopent-4-enoic acid
6,8-dihydroxy-4-(hydroxymethyl)-3-methylisochromen-1-one
(5s,6r,10s)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoic acid
5-hydroxy-2-(hydroxymethyl)-7-methoxychromen-4-one
6,8-dihydroxy-3-(hydroxymethyl)-7-methylisochromen-1-one
3,5-dihydroxy-7-(hydroxymethyl)-2-methylchromen-4-one
methyl 2-(4-hydroxy-3-oxo-1h-2-benzofuran-1-yl)acetate
6,8-dihydroxy-3-(hydroxymethyl)-4-methylisochromen-1-one
methyl 6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-carbaldehyde
(3s)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylic acid
(2e)-2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoic acid
2-[2-(1-carboxyethylidene)hydrazin-1-yl]benzoic acid
methyl (3s,4s,5r,6s)-6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
(2s)-2-hydroxy-2-[3-(methylsulfanyl)propyl]butanedioic acid
8-chloro-6-(chloromethyl)-2-methylocta-1,6-dien-3-ol
C10H16Cl2O (222.05781459999997)
8-hydroxy-2-methyl-4-oxo-2,3-dihydro-1-benzopyran-6-carboxylic acid
4,6-dihydroxy-7-(hydroxymethyl)-3-methylchromen-2-one
(3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylic acid
6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
7-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carboxylic acid
[3-(chloromethylidene)-2h-1-benzoxepin-7-yl]methanol
methyl (3s,4s,5s,6s)-6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
(2e,6z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dien-1-ol
C10H16Cl2O (222.05781459999997)
5'-hydroxy-5-(hydroxymethyl)-2'-oxo-3',4'-dihydro-[1,3'-bipyrrole]-2-carbaldehyde
8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylic acid
methyl 2-[(1r)-4-hydroxy-3-oxo-1h-2-benzofuran-1-yl]acetate
8-chloro-6-(chloromethyl)-2-methylocta-2,6-dien-1-ol
C10H16Cl2O (222.05781459999997)