Exact Mass: 344.0179
Exact Mass Matches: 344.0179
Found 217 metabolites which its exact mass value is equals to given mass value 344.0179,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Combretum caffrum
3,3,4-Tri-O-methylellagic acid; 3,3,4-Trimethoxyellagic acid; 3,4,3-Tri-O-methylellagic acid; Ellagic acid 3,3,4-trimethyl ether
3,4,3-Tri-O-methylellagic acid is a tannin. 2,3,8-Tri-O-methylellagic acid is a natural product found in Lagerstroemia speciosa, Cercidiphyllum japonicum, and other organisms with data available.
methoxychlor
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
C20637
5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate
5-O-Galloyl-1,4-galactarolactone
2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetic acid
5-O-Galloyl-1,4-galactarolactone is found in fruits. Consist. of the fruit of emblic (Phyllanthus emblica).
2-O-Galloyl-1,4-galactarolactone
2-hydroxy-2-[3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
2-O-Galloyl-1,4-galactarolactone is found in fruits. 2-O-Galloyl-1,4-galactarolactone is a constituent of the fruit of emblic (Phyllanthus emblica).
Aflatoxin GM1
3-hydroxy-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹³,¹⁸]icosa-1(12),2(9),4,10,13(18)-pentaene-17,19-dione
Aflatoxin GM1 is a minor mycotoxin produced by Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987).
Wharangin
8-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2H,6H-[1,3]dioxolo[4,5-h]chromen-6-one
Wharangin is found in green vegetables. Wharangin is isolated from spinach (Spinacia oleracea). Isolated from spinach (Spinacia oleracea). Wharangin is found in green vegetables and spinach.
3-O-Galloyl-1,4-galactarolactone
2-hydroxy-2-[4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
3-O-Galloyl-1,4-galactarolactone is found in fruits. 3-O-Galloyl-1,4-galactarolactone is a constituent of the fruit of emblic (Phyllanthus emblica).
2-Ethyl-2-methyl-N-(6-chloro-4-sulfamoyl-o-tolyl)succinimide
3-chloro-4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-5-methylbenzene-1-sulfonamide
[Acetyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]oxy hydrogen sulfate
[Acetyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]oxy hydrogen sulphuric acid
[3-(2-Acetamidoethyl)-5-methoxy-1H-indol-6-yl]oxy hydrogen sulfate
[3-(2-Acetamidoethyl)-5-methoxy-1H-indol-6-yl]oxy hydrogen sulphuric acid
5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone
6-(3,4-dihydroxyphenyl)-9-hydroxy-7-methoxy-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one
5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone is a member of the class of compounds known as 3-o-methylated flavonoids. 3-o-methylated flavonoids are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Thus, 5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone is considered to be a flavonoid lipid molecule. 5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone can be found in spinach, which makes 5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone a potential biomarker for the consumption of this food product.
Benthamianin
3,4,8,10-Tetrahydroxy-9-methoxy- [ 2 ] benzopyrano [ 4,3-b ] [ 1 ] benzopyran-7 (5H) -one
3,5,3-Trihydroxy-4-methoxy-6,7-methylenedioxyflavone
7,9-Dihydroxy-6- (3-hydroxy-4-methoxyphenyl) -8H-1,3-dioxolo [ 4,5-g ] [ 1 ] benzopyran-8-one
5,3,4-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone
5,3,4-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone
2-Methyl-N-({[3-(trifluoromethyl)anilino]carbonyl}oxy)-1,3-thiazole-4-carboximidamide
2-Methyl-N-({[3-(trifluoromethyl)anilino]carbonyl}oxy)-1,3-thiazole-4-carboximidamide
2-(6-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2,3-dihydroxyphenyl)acetic acid|falloconvolin A
2-(6-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2,3-dihydroxyphenyl)acetic acid|falloconvolin A
(9Z,13Z,17E)-form-18-Bromo-9,13,17-octadecatriene-5,7,15-triynoic acid|18-Bromo-(9Z,13Z,17E)-octadeca-9,13,17-triene-5,7,15-triynoic acid
(9Z,13Z,17E)-form-18-Bromo-9,13,17-octadecatriene-5,7,15-triynoic acid|18-Bromo-(9Z,13Z,17E)-octadeca-9,13,17-triene-5,7,15-triynoic acid
5,8,3-Trihydroxy-2-methoxy-6,7-methylenedioxyisoflavone
5,8,3-Trihydroxy-2-methoxy-6,7-methylenedioxyisoflavone
3,4-methylenedioxy-3-O-methyl-5-hydroxyellagic acid
3,4-methylenedioxy-3-O-methyl-5-hydroxyellagic acid
(3R)-9-((E)-1-bromo-propylidene)-4c-chloro-3r-pent-2-en-4-ynyl-4,5,8,9-tetrahydro-3H-[1,2]dioxonine
(3R)-9-((E)-1-bromo-propylidene)-4c-chloro-3r-pent-2-en-4-ynyl-4,5,8,9-tetrahydro-3H-[1,2]dioxonine
2-hydroxyluzofuranone B|4-[(2RS,5SR,7aSR)-5-bromooctahydro-4,4,7a-trimethyl-1-benzofuran-2-yl]-3-hydroxyfuran-2(5H)-one
2-hydroxyluzofuranone B|4-[(2RS,5SR,7aSR)-5-bromooctahydro-4,4,7a-trimethyl-1-benzofuran-2-yl]-3-hydroxyfuran-2(5H)-one
4-(2-Oxo-6-carboxy-2H-pyran-3-yl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carboxylic acid
4-(2-Oxo-6-carboxy-2H-pyran-3-yl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carboxylic acid
7-(4-Carboxybutyrylamino)-3-hydroxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-(4-Carboxybutyrylamino)-3-hydroxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Aflatoxin GM1
3,4,7a,10a-Tetrahydro-10a-hydroxy-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione, 9CI
2-O-Galloyl-1,4-galactarolactone
2-hydroxy-2-{3-hydroxy-5-oxo-4-[(3,4,5-trihydroxyphenyl)carbonyloxy]oxolan-2-yl}acetic acid
3-O-Galloyl-1,4-galactarolactone
2-hydroxy-2-{4-hydroxy-5-oxo-3-[(3,4,5-trihydroxyphenyl)carbonyloxy]oxolan-2-yl}acetic acid
5-O-Galloyl-1,4-galactarolactone
2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-[(3,4,5-trihydroxyphenyl)carbonyloxy]acetic acid
5,7-bis(trifluoromethyl)-2-(methylthio)pyrazolo-[1,5-a]pyrimidine-3-carboxamide
5,7-bis(trifluoromethyl)-2-(methylthio)pyrazolo-[1,5-a]pyrimidine-3-carboxamide
6-BROMO-2-PHENYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
6-BROMO-2-PHENYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Sultosilic acid
2-hydroxy-5-(4-methylphenyl)sulfonyloxybenzenesulfonic acid
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
tert-Butyl 3-iodo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
tert-Butyl 3-iodo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
2-(3-CHLORO-4-METHANESULFONYL-PHENYL)-3-(2-OXO-CYCLOPENTYL)-PROPIONIC ACID
2-(3-CHLORO-4-METHANESULFONYL-PHENYL)-3-(2-OXO-CYCLOPENTYL)-PROPIONIC ACID
ETA-BENZENE(ETA-CYCLOPENTADIENYL)IRON HEXAFLUOROPHOSPHATE
ETA-BENZENE(ETA-CYCLOPENTADIENYL)IRON HEXAFLUOROPHOSPHATE
1-(6-IODO-3,4-DIHYDRO-2H-[1,8]NAPHTHYRIDIN-1-YL)-2,2-DIMETHYL-PROPAN-1-ONE
1-(6-IODO-3,4-DIHYDRO-2H-[1,8]NAPHTHYRIDIN-1-YL)-2,2-DIMETHYL-PROPAN-1-ONE
DIMETHYL 2-(3-BROMO-5-FORMYL-4-HYDROXYPHENYL)SUCCINATE
DIMETHYL 2-(3-BROMO-5-FORMYL-4-HYDROXYPHENYL)SUCCINATE
2-MERCAPTO-3-(4-METHOXY-PHENYL)-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
2-MERCAPTO-3-(4-METHOXY-PHENYL)-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
N,N-(2,5-DICHLORO-1,4-PHENYLENE)BIS(N-ACETYLACETAMIDE)
N,N-(2,5-DICHLORO-1,4-PHENYLENE)BIS(N-ACETYLACETAMIDE)
TERT-BUTYL 3-(BROMOMETHYL)-5-CHLORO-1H-INDAZOLE-1-CARBOXYLATE
TERT-BUTYL 3-(BROMOMETHYL)-5-CHLORO-1H-INDAZOLE-1-CARBOXYLATE
Methyl 2,3,3,3-tetrafluoro-2-(perfluoropropoxy)propanoate
Methyl 2,3,3,3-tetrafluoro-2-(perfluoropropoxy)propanoate
methyl (2Z,4Z)-2-(bromomethyl)-5-chloro-5-(4-methoxyphenyl)penta-2,4-dienoate
methyl (2Z,4Z)-2-(bromomethyl)-5-chloro-5-(4-methoxyphenyl)penta-2,4-dienoate
TERT-BUTYL 5-IODO-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
TERT-BUTYL 5-IODO-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
TERT-BUTYL 4-(BROMOMETHYL)-6-CHLORO-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
TERT-BUTYL 4-(BROMOMETHYL)-6-CHLORO-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
5h-perfluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
5h-perfluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
tetrachlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene, mixed isomers
tetrachlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene, mixed isomers
2-[Methyl(pyridin-2-yl)amino]ethyl methanesulfonate trifluoroacetate
2-[Methyl(pyridin-2-yl)amino]ethyl methanesulfonate trifluoroacetate
1-[(Trimethylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one
1-[(Trimethylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one
n-(2-hydroxyethyl)ethylenediamine-n,n,n-triacetic acid trisodium salt
n-(2-hydroxyethyl)ethylenediamine-n,n,n-triacetic acid trisodium salt
2-(4-CHLORO-PHENYL)-5-(4-METHYLSULFANYL-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
2-(4-CHLORO-PHENYL)-5-(4-METHYLSULFANYL-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
3-(TERT-BUTYL)-1-(2,4-DICHLOROBENZYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE
3-(TERT-BUTYL)-1-(2,4-DICHLOROBENZYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE
Methyl 1-(2-bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate
Methyl 1-(2-bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate
Liarozole hydrochloride
Liarozole hydrochloride
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors
2,3-cyclic GMP(1-)
2,3-cyclic GMP(1-)
A 2,3-cyclic nucleotide(1-) which is obtained from 2,3-cyclic GMP by removal of a proton from the cyclic phosphate group.
Iron(III)-edta
Iron(III)-edta
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, (2S)-
Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, (2S)-
5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine
5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-3-nitrobenzamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-3-nitrobenzamide
Methyl 3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
Methyl 3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
2-[(5-Chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
2-[(5-Chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
4-(Aminosulfonyl)-N-[(2,3,4-trifluorophenyl)methyl]-benzamide
4-(Aminosulfonyl)-N-[(2,3,4-trifluorophenyl)methyl]-benzamide
4-{[4-(4-Fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
4-{[4-(4-Fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-6-bromo-4-methylbenzenolate
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-6-bromo-4-methylbenzenolate
4-(Aminosulfonyl)-N-[(2,4,6-trifluorophenyl)methyl]-benzamide
4-(Aminosulfonyl)-N-[(2,4,6-trifluorophenyl)methyl]-benzamide
4-(Aminosulfonyl)-N-[(3,4,5-trifluorophenyl)methyl]-benzamide
4-(Aminosulfonyl)-N-[(3,4,5-trifluorophenyl)methyl]-benzamide
(2s,3s)-3-Formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid
(2s,3s)-3-Formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid
methoxychlor
Benzene,1,1-(2,2,2-trichloroethylidene)bis[4-methoxy-
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
2-O-Galloyl-1,4-galactarolactone
2-hydroxy-2-[3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
2-O-Galloyl-1,4-galactarolactone is found in fruits. 2-O-Galloyl-1,4-galactarolactone is a constituent of the fruit of emblic (Phyllanthus emblica). Constituent of the fruit of emblic (Phyllanthus emblica). 2-Galloyl-1,4-galactarolactone is found in fruits.
3-O-Galloyl-1,4-galactarolactone
2-hydroxy-2-[4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
3-O-Galloyl-1,4-galactarolactone is found in fruits. 3-O-Galloyl-1,4-galactarolactone is a constituent of the fruit of emblic (Phyllanthus emblica). Constituent of the fruit of emblic (Phyllanthus emblica). 3-Galloyl-1,4-galactarolactone is found in fruits.
5-O-Galloyl-1,4-galactarolactone
2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetic acid
5-O-Galloyl-1,4-galactarolactone is found in fruits. Consist. of the fruit of emblic (Phyllanthus emblica). Consist. of the fruit of emblic (Phyllanthus emblica). 5-Galloyl-1,4-galactarolactone is found in fruits.
2-chloro-N-(5-nitro-2-oxo-3-indolyl)benzohydrazide
2-chloro-N-(5-nitro-2-oxo-3-indolyl)benzohydrazide
1-(3,5-Dichlorophenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
1-(3,5-Dichlorophenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
3-bromo-N-(tert-butylcarbamothioyl)-4-methoxybenzamide
3-bromo-N-(tert-butylcarbamothioyl)-4-methoxybenzamide
5-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester
5-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)thiourea
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)thiourea
1-(2-chlorobenzyl)-5-[(5-methyl-2-furyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
1-(2-chlorobenzyl)-5-[(5-methyl-2-furyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
2-[(6-Amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]acetic acid ethyl ester
2-[(6-Amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]acetic acid ethyl ester
5-(3-Fluorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
5-(3-Fluorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
1-(5-Chloro-2-methoxyphenyl)-3-[2-(4-chloro-1-pyrazolyl)ethyl]thiourea
1-(5-Chloro-2-methoxyphenyl)-3-[2-(4-chloro-1-pyrazolyl)ethyl]thiourea
N-(2-bromo-4-methylphenyl)-5-pyridin-4-yl-2-thiophenamine
N-(2-bromo-4-methylphenyl)-5-pyridin-4-yl-2-thiophenamine
(5Z)-3-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-3-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
(2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-5-(2-nitrobenzyl)-1,3-thiazolidin-4-one
(2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-5-(2-nitrobenzyl)-1,3-thiazolidin-4-one
[5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
[5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
5-[(4-Chlorophenyl)sulfonyl]-2-phenyl-1,3-oxazole-4-carbonitrile
5-[(4-Chlorophenyl)sulfonyl]-2-phenyl-1,3-oxazole-4-carbonitrile
aflatoxin M1 8,9-epoxide
Aflatoxin-M1-8,9-epoxide
A member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin M1.
5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate
5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate
3,5-cyclic GMP(1-)
3,5-cyclic GMP(1-)
The conjugate base of guanosine 3,5-cyclic phosphate arising from deprotonation of the free phosphate OH group; major species at pH 7.3.
18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid
18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid
(1s,3s,4r,6r,8s,10s)-4-bromo-3-ethyl-8-(pent-2-en-4-yn-1-yl)-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(1s,3s,4r,6r,8s,10s)-4-bromo-3-ethyl-8-(pent-2-en-4-yn-1-yl)-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(2s,3s,5z,9s)-9-[(1s)-1-bromopropyl]-3-chloro-2-[(2e)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
(2s,3s,5z,9s)-9-[(1s)-1-bromopropyl]-3-chloro-2-[(2e)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
1,7,8-trihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
1,7,8-trihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
1-acetyl-2,4,5,8-tetrahydroxy-7-methoxyanthracene-9,10-dione
1-acetyl-2,4,5,8-tetrahydroxy-7-methoxyanthracene-9,10-dione
4,9-dihydroxy-7-(3-hydroxy-2-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
4,9-dihydroxy-7-(3-hydroxy-2-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(9z,13z,17e)-18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid
(9z,13z,17e)-18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid
12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
3,3',4'-tri-O-methylellagic acid
3,3',4 '-tri-O-methylellagic acid
{"Ingredient_id": "HBIN007134","Ingredient_name": "3,3',4'-tri-O-methylellagic acid","Alias": "3,3',4 '-tri-O-methylellagic acid","Ingredient_formula": "C17H12O8","Ingredient_Smile": "COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)OC)C(=O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34713;42570","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-methylenedioxy-3'-o-methyl-5'-hydroxy-ellagicacid
NA
{"Ingredient_id": "HBIN007499","Ingredient_name": "3,4-methylenedioxy-3'-o-methyl-5'-hydroxy-ellagicacid","Alias": "NA","Ingredient_formula": "C16H8O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14370","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13,14-dihydroxy-12-methoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1(18),2(6),7,11(19),12,14-hexaene-9,16-dione
13,14-dihydroxy-12-methoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1(18),2(6),7,11(19),12,14-hexaene-9,16-dione
(9e,13e,17e)-18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid
(9e,13e,17e)-18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid
12-thiapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2(11),4,6,8,15,17,19-octaene-3,10,14,21-tetrone
12-thiapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2(11),4,6,8,15,17,19-octaene-3,10,14,21-tetrone
(2s,3s,5z,9s)-9-[(1s)-1-bromopropyl]-3-chloro-2-[(2z)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
(2s,3s,5z,9s)-9-[(1s)-1-bromopropyl]-3-chloro-2-[(2z)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
(1r,3r,4s,6r,8s,10r)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(1r,3r,4s,6r,8s,10r)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
7,9-dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
7,9-dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
9-(1-bromopropyl)-3-chloro-2-(pent-2-en-4-yn-1-yl)-2,3,4,7,8,9-hexahydrooxonine
9-(1-bromopropyl)-3-chloro-2-(pent-2-en-4-yn-1-yl)-2,3,4,7,8,9-hexahydrooxonine
5-(3-carboxy-6,7-dihydroxy-1,2-dihydronaphthalen-1-yl)-6-oxopyran-2-carboxylic acid
5-(3-carboxy-6,7-dihydroxy-1,2-dihydronaphthalen-1-yl)-6-oxopyran-2-carboxylic acid
15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylic acid
15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylic acid
(s)-[(2r,3r,4r)-3,4-dihydroxy-5-oxooxolan-2-yl](3,4,5-trihydroxybenzoyloxy)acetic acid
(s)-[(2r,3r,4r)-3,4-dihydroxy-5-oxooxolan-2-yl](3,4,5-trihydroxybenzoyloxy)acetic acid
1,6,8-trihydroxy-9,10-dioxoanthracene-2,3-dicarboxylic acid
1,6,8-trihydroxy-9,10-dioxoanthracene-2,3-dicarboxylic acid
n-({2,6a-dihydroxy-1h,3ah,5h,6h-furo[2,3-d]imidazol-5-yl}methyl)-4-bromo-1h-pyrrole-2-carboxamide
n-({2,6a-dihydroxy-1h,3ah,5h,6h-furo[2,3-d]imidazol-5-yl}methyl)-4-bromo-1h-pyrrole-2-carboxamide
5-[(1r)-3-carboxy-6,7-dihydroxy-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid
5-[(1r)-3-carboxy-6,7-dihydroxy-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid
13-hydroxy-6,7,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
13-hydroxy-6,7,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
(1s,3r,9r,10r,12s)-12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
(1s,3r,9r,10r,12s)-12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
(1s,3r,9s,10r,12s)-12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
(1s,3r,9s,10r,12s)-12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
n-{[(3as,5s,6as)-2,6a-dihydroxy-1h,3ah,5h,6h-furo[2,3-d]imidazol-5-yl]methyl}-4-bromo-1h-pyrrole-2-carboxamide
n-{[(3as,5s,6as)-2,6a-dihydroxy-1h,3ah,5h,6h-furo[2,3-d]imidazol-5-yl]methyl}-4-bromo-1h-pyrrole-2-carboxamide
3-(1-bromopropylidene)-6-chloro-5-(pent-2-en-4-yn-1-yl)-4,9-dioxabicyclo[6.1.0]nonane
3-(1-bromopropylidene)-6-chloro-5-(pent-2-en-4-yn-1-yl)-4,9-dioxabicyclo[6.1.0]nonane
(2s,3s,5z,9r)-9-[(1s)-1-bromopropyl]-3-chloro-2-[(2e)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
(2s,3s,5z,9r)-9-[(1s)-1-bromopropyl]-3-chloro-2-[(2e)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
7-hydroxy-6,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
7-hydroxy-6,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
(1s,3s,4r,6r,8s,10s)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(1s,3s,4r,6r,8s,10s)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(s)-hydroxy[(2s,3r,4r)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
(s)-hydroxy[(2s,3r,4r)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxoanthracen-2-yl acetate
1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxoanthracen-2-yl acetate
4-[(2r,5s,7as)-5-bromo-4,4,7a-trimethyl-hexahydro-1-benzofuran-2-yl]-3-hydroxy-5h-furan-2-one
4-[(2r,5s,7as)-5-bromo-4,4,7a-trimethyl-hexahydro-1-benzofuran-2-yl]-3-hydroxy-5h-furan-2-one
1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
(1s,3z,5s,6s,8r)-3-(1-bromopropylidene)-6-chloro-5-[(2z)-pent-2-en-4-yn-1-yl]-4,9-dioxabicyclo[6.1.0]nonane
(1s,3z,5s,6s,8r)-3-(1-bromopropylidene)-6-chloro-5-[(2z)-pent-2-en-4-yn-1-yl]-4,9-dioxabicyclo[6.1.0]nonane
1,4,8-trihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
1,4,8-trihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
1,6-dimethyl 2,8-dihydroxy-9-oxoxanthene-1,6-dicarboxylate
1,6-dimethyl 2,8-dihydroxy-9-oxoxanthene-1,6-dicarboxylate
(1r,3z,5r,6r,8s)-3-(1-bromopropylidene)-6-chloro-5-[(2e)-pent-2-en-4-yn-1-yl]-4,9-dioxabicyclo[6.1.0]nonane
(1r,3z,5r,6r,8s)-3-(1-bromopropylidene)-6-chloro-5-[(2e)-pent-2-en-4-yn-1-yl]-4,9-dioxabicyclo[6.1.0]nonane
n-{[(3as,5s,6ar)-2,3a-dihydroxy-3h,5h,6h,6ah-furo[2,3-d]imidazol-5-yl]methyl}-4-bromo-1h-pyrrole-2-carboxamide
n-{[(3as,5s,6ar)-2,3a-dihydroxy-3h,5h,6h,6ah-furo[2,3-d]imidazol-5-yl]methyl}-4-bromo-1h-pyrrole-2-carboxamide
(1s,3r,4s,6r,8r,10r)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(1s,3r,4s,6r,8r,10r)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(2s,3s,5z,9r)-9-[(1s)-1-bromopropyl]-3-chloro-2-[(2z)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
(2s,3s,5z,9r)-9-[(1s)-1-bromopropyl]-3-chloro-2-[(2z)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
6-bromo-9-methyl-2h,3h,4h,7h,8h-1λ⁶-[1,4]thiazino[3,2-h]isoquinoline-1,1,5-trione
6-bromo-9-methyl-2h,3h,4h,7h,8h-1λ⁶-[1,4]thiazino[3,2-h]isoquinoline-1,1,5-trione
(1s,3r,4s,6r,8r,10r)-4-bromo-3-ethyl-8-(pent-2-en-4-yn-1-yl)-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(1s,3r,4s,6r,8r,10r)-4-bromo-3-ethyl-8-(pent-2-en-4-yn-1-yl)-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
(r)-hydroxy[(2s,3r,4s)-3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
(r)-hydroxy[(2s,3r,4s)-3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
4-[(2s,5s,7as)-5-bromo-4,4,7a-trimethyl-hexahydro-1-benzofuran-2-yl]-3-hydroxy-5h-furan-2-one
4-[(2s,5s,7as)-5-bromo-4,4,7a-trimethyl-hexahydro-1-benzofuran-2-yl]-3-hydroxy-5h-furan-2-one
(r)-[(2s,3s,4s)-3,4-dihydroxy-5-oxooxolan-2-yl](3,4,5-trihydroxybenzoyloxy)acetic acid
(r)-[(2s,3s,4s)-3,4-dihydroxy-5-oxooxolan-2-yl](3,4,5-trihydroxybenzoyloxy)acetic acid
15-formyl-14-hydroxy-6-methoxy-12-methyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-4-carboxylic acid
15-formyl-14-hydroxy-6-methoxy-12-methyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-4-carboxylic acid
