Exact Mass: 328.0299952
Exact Mass Matches: 328.0299952
Found 375 metabolites which its exact mass value is equals to given mass value 328.0299952,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bergenin
Bergenin is a trihydroxybenzoic acid. It has a role as a metabolite. Bergenin is a natural product found in Ficus racemosa, Ardisia paniculata, and other organisms with data available. A natural product found in Cenostigma gardnerianum. C26170 - Protective Agent > C275 - Antioxidant Annotation level-1 Bergenin is a cytoprotective and antioxidative polyphenol found in many medicinal plants. Bergenin has a wide spectrum activities such as hepatoprotective, antiinflammatory, immunomodulatory, antitumor, antiviral, and antifungal properties[1][2]. Bergenin is a cytoprotective and antioxidative polyphenol found in many medicinal plants. Bergenin has a wide spectrum activities such as hepatoprotective, antiinflammatory, immunomodulatory, antitumor, antiviral, and antifungal properties[1][2].
Aflatoxin M1
Aflatoxin M1 is found in milk and milk products. Minor mycotoxin of Aspergillus flavus, also found in the milk of cows and sheep fed toxic meal. Metab. of Aflatoxin B1
Aflatoxin M1
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
SEPHCHC
Aflatoxin Q1
Aflatoxin Q1 is a mycotoxin. It is a metabolite of Aflatoxin B. It can be found in Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
2,3-Epoxyaflatoxin B1
2,3-Epoxyaflatoxin B1 is formed due to the metabolism of aflatoxin B1 (AFB1) by CYP2A13, an enzyme predominantly expressed in the human respiratory tract. There is no detectable AFB1 epoxide formation by CYP2A6, which was also reported to be involved in the metabolic activation of AFB1 (PMID: 16385575). Aflatoxins are naturally occurring mycotoxins that are produced by many species of Aspergillus, a fungus. At least 13 different types of aflatoxin are produced in nature. Aflatoxin B1 is considered the most toxic and is produced by both Aspergillus flavus and Aspergillus parasiticus. The native habitat of Aspergillus is in soil, decaying vegetation, hay, and grains undergoing microbiological deterioration and it invades all types of organic substrates whenever conditions are favourable for its growth. Favourable conditions include high moisture content (at least 7\\%) and high temperature. Aflatoxins B1 (AFB1) are contaminants of improperly stored foods; they are potent genotoxic and carcinogenic compounds, exerting their effects through damage to DNA. They can also induce mutations that increase oxidative damage (PMID: 17214555). Crops which are frequently affected by Aspergillus contamination include cereals (maize, sorghum, pearl millet, rice, wheat), oilseeds (peanut, soybean, sunflower, cotton), spices (chile peppers, black pepper, coriander, turmeric, ginger), and tree nuts (almond, pistachio, walnut, coconut, brazil nut). BioTransformer predicts that 2,3-epoxyaflatoxin B1 is a product of aflatoxin B1 metabolism via an epoxidation-of-vinyl-ether reaction catalyzed by CYP1A2 and CYP3A4 enzymes (PMID: 30612223). D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins Prob. ultimate carcinogen of Aflatoxin B1 D009676 - Noxae > D002273 - Carcinogens
Aflatoxin b1 epoxide
Sulcotrione
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 2386 CONFIDENCE standard compound; INTERNAL_ID 4013 CONFIDENCE standard compound; INTERNAL_ID 8658 CONFIDENCE standard compound; INTERNAL_ID 8374 CONFIDENCE standard compound; EAWAG_UCHEM_ID 290 EAWAG_UCHEM_ID 290; CONFIDENCE standard compound
Aflatoxin G
Aflatoxin G is a mycotoxin produced by Aspergillus flavus and Aspergillus parasiticu D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
4-[(2-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid
4-[(2-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid is a food dye. Banned by the FDA for food use. Food dye. Banned by the FDA for food use
Aflatoxin M4
Aflatoxin M4 is a metabolite of Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). Isolated from cultures of Aspergillus parasiticus
Cabbage identification factor 2
Cabbage identification factor 2 is found in brassicas. Cabbage identification factor 2 is an alkaloid found on the leaf surfaces of Brassica oleracea cv. botrytis (cauliflower).
3,5-dihydroxy-13,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-one
3,4,5-trihydroxy-6-(2-methoxybenzoyloxy)oxane-2-carboxylic acid
3,4,5-trihydroxy-6-(4-methoxybenzoyloxy)oxane-2-carboxylic acid
Rhamnalpinogenin
Rhamnalpinogenin is a constituent of Crocus sativus (saffron)
Orange I
Orange I is formerly used as a food colouring; now banned by the FDA. Formerly used as a food colouring; now banned by the FDA.
Sodium 6-hydroxy-5-(phenylazo)-2-naphthalenesulfoniate
Sodium 6-hydroxy-5-(phenylazo)-2-naphthalenesulfoniate is a food pigment.
6-Sulfatoxymelatonin
6-sulfatoxymelatonin belongs to the family of Serotonins. These are compounds containing a serotonin moiety, which conists of an indole that bears an aminoethyl a position 2 and an hydroxyl group at position 5. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3-hydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-[4-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(4-hydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Vanillin glucuronide
8-Nitroguanosine
bergenin
Eberconazole
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives C254 - Anti-Infective Agent > C514 - Antifungal Agent
10-Bromo-5,10-epoxy-3,8-chamigradiene-2,7-diol
C15H21BrO3 (328.06739760000005)
4,2-Epoxy-5,4-dihydroxy-7,5-dimethoxy-3-phenylcoumarin
4,2-Epoxy-7,4-dihydroxy-5,5-dimethoxy-3-phenylcoumarin
6,7-dihydroxy-3-methoxy-4,5-methylenedioxyisoflavone
10-Bromo-7,8-epoxy-2,9-chamigradiene-5,15-diol
C15H21BrO3 (328.06739760000005)
5,3-Dihydroxy-2-methoxy-6,7-methylenedioxyisoflavone
2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
C17H16N2OS2 (328.07040059999997)
5-Methyl-N-({[3-(trifluoromethyl)anilino]carbonyl}oxy)isoxazole-3-carboximidamide
2-hydroxy-3-methylpentanoic acid p-bromophenacyl ester
1,7-dihydroxy-3,9-dimethoxycoumestan|hedysarimcoumestan F
2-Methoxy-3-hydroxy-5-(4-oxo-5,7-dihydroxy-4H-1-benzopyran-3-yl)benzaldehyde
9,10-Dihydro-3,4,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
2,5,7-Trihydroxyspiro[4H-1-benzopyran-3(2H),5(6H)-cyclobuta[f]-1,3-benzodioxole]-4-one
4,9-Dihydroxyphenazine-1,6-dicarboxylic acid dimethyl ester
2-Acetyl-1,5,6,8-tetrahydroxy-3-methylanthraquinone
6-Me ether-3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid
3,5-Dihydroxy-7-methoxy-3,4-(methylenebisoxy)flavone
(2S)-5,8,4-trihydroxy-6,7-(vinylenedioxy)flavanone
3,8-dihydroxy-6-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
5,2-dihydroxy-5-methoxy-6,7-methylenedioxyisoflavone|tetranins B
Ethyl 6-chloro-2-oxo-4-phenyl-chromene-3-carboxylate
C18H13ClO4 (328.05023280000006)
6,9-dihydroxy-7-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one|loasin B
5-methoxy-3?,4?-dihydroxy-6,7-methylenedioxy-4H-1-benzopyran-4-one|iriskashmirianin A
5,8-dihydroxy-4-methoxy-6,7-methylenedioxyisoflavone|6,7-Methylene,4-Me ether-4,5,6,7,8-Pentahydroxyisoflavone
9,10-Dihydro-3,7,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
Oxazepam acetate
C17H13ClN2O3 (328.06146580000006)
3,8-Dimethoxy-1,9-dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
9-Acetoxymethyl-2-amino-3-oxo-3H-phenoxazin-1-carbonsaeure|9-acetoxymethyl-2-amino-3-oxo-3H-phenoxazine-1-carboxylic acid|O-acetyl cinnabarine
cyclo(13,15-dichloro-L-Pro-L-Tyr)
C14H14Cl2N2O3 (328.03814339999997)
1,8-Dimethoxy-3,9-dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
4,9-dihydroxy-3,8-dimethoxy-benzo[4,5]furo[3,2-c]chromen-6-one|buteaspermin B
7-(beta-D-glucopyranosyloxy)-5-hydroxy-1(3H)-isobenzofuranone|7-O-(beta-D-glucopyranosyloxy)-5-hydroxy-1(3H)-isobenzofuranone
2-hydroxy-4-methylpentanoic acid p-bromophenacyl ester
2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate
boeravinoneE
boeravinone E is a natural product found in Mirabilis jalapa with data available.
AFLATOXIN G1
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins CONFIDENCE Reference Standard (Level 1)
AFLATOXIN M1
A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at position 9a is replaced by a hydroxy group. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins CONFIDENCE Reference Standard (Level 1)
1H,1H,2H,2H-perfluorohexanesulfonate (4:2) (4:2 Fluorotelomer sulfonic acid)
CONFIDENCE standard compound; INTERNAL_ID 5941
Aflatoxin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins CONFIDENCE standard compound; INTERNAL_ID 5964
Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(2-nitrophenyl)-5-oxo-, methyl ester
Rhamnalpinogenin
Cabbage identification factor 2
Aflatoxin M4
6-Sulfatoxymelatonin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6-Bromo-1-(2-triMethylsilanyl-ethoxyMethyl)-1H-[1,2,3]triazolo[4,5-b]pyridine
C11H17BrN4OSi (328.03549319999996)
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
C12H12N2O5S2 (328.01876219999997)
6-((3-(TRIFLUOROMETHYL)PHENYL)THIO)IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
TERT-BUTYL 3-(BROMOMETHYL)-5-FLUORO-1H-INDAZOLE-1-CARBOXYLATE
ETHYL 2-CHLORO-2-[2-[4-CHLORO-2-(TRIFLUOROMETHYL)-PHENYL]HYDRAZONO]ACETATE
C11H9Cl2F3N2O2 (327.99931499999997)
TERT-BUTYL 7-BROMO-2,3-DIHYDROPYRIDO[3,2-F][1,4]OXAZEPINE-4(5H)-CARBOXYLATE
3-BENZYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
C17H16N2OS2 (328.07040059999997)
(2,4-dimethoxyphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
C16H12F4O3 (328.07225299999993)
3-Oxo-1-cyclohexen-1-yl 2-chloro-4-(methylsulfonyl)benzoate
4-((4-CHLOROPHENYL)THIO)-5,8-DIFLUOROCHROMAN-3-OL
C15H11ClF2O2S (328.01363200000003)
2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
C17H16N2OS2 (328.07040059999997)
2,6-DI(OXIRAN-2-YLMETHYL)-1,2,3,5,6,7-HEXAHYDROPYRROLO[3,4-F]ISOINDOLE-1,3,5,7-TETRAONE
5-(BENZYLTHIO)-4-CHLORO-2-PHENYLPYRIDAZIN-3(2H)-ONE
C17H13ClN2OS (328.04370780000005)
2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenedioic acid
Methyl 1-(3-bromo-4-fluorophenyl)-4-oxocyclohexanecarboxylate
C14H14BrFO3 (328.01102860000003)
2-(5-Bromo-2-thienyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine
C14H10BBrN2S (327.98410700000005)
2-Acetoxy-5-(bromoacetyl)benzyl acetate
C13H13BrO5 (327.99463080000004)
tris(2,2,2-trifluoroethyl)phosphite
C6H6F9O3P (327.99108440000003)
ETHYL 3-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-OXOPROPANOATE
C13H10F6O3 (328.05341020000003)
D-3-Bromocamphor-10-sulfonic acid monohydrate
C10H17BrO5S (327.99800120000003)
5-NITRO-2-([5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]THIO)BENZALDEHYDE
6-BROMO-2-PYRIDIN-4-YL-QUINOLINE-4-CARBOXYLIC ACID
3-METHOXY-2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE,95.0+(GC)
C11H15F3O4SSi (328.04123860000004)
[(1S)-endo]-(+)-3-Bromo-10-camphorsulfonic acid monohydrate
C10H17BrO5S (327.99800120000003)
clorexolone
C14H17ClN2O3S (328.06483620000006)
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic
ethyl (2Z,4Z)-2-(bromomethyl)-5-chloro-5-phenylpenta-2,4-dienoate
2-MERCAPTO-3-P-TOLYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
C17H16N2OS2 (328.07040059999997)
Betahistine mesilate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Betahistine mesylate is an orally active histamine H1 receptor agonist and a H3 receptor antagonist[1]. Betahistine mesylate is used for the study of rheumatoid arthritis (RA)[3].
2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL
C14H14Cl2N2O3 (328.03814339999997)
2-(Piperazin-1-yl)acetic acid N-(3-pyridyl)amidetrihydrochloride
1,1,1,3,3,3-hexafluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)propan-2-imine
(3aR,4aS,7S,8aS)-7-Bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-furo[3,4-b][1]benzoxepin-1(3H)-one
C15H21BrO3 (328.06739760000005)
4,6-dichloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidine
C13H14Cl2N4O2 (328.04937639999997)
2,2,3,3,5,5,6,6-octafluorobenzidine
C12H4F8N2 (328.02467199999995)
2-MERCAPTO-3-PHENYL-3,5,6,7,8,9-HEXAHYDRO-10-THIA-1,3-DIAZA-BENZO[A]AZULEN-4-ONE
C17H16N2OS2 (328.07040059999997)
SODIUM 9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE HYDRATE
Piperazine, 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
C13H16ClF3N2.ClH (328.07208180000003)
(5E)-3-(2-Aminoethyl)-5-(1,3-benzodioxol-5-ylmethy lene)-1,3-thiazolidine-2,4-dione hydrochloride
4-METHOXY-2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE
C11H15F3O4SSi (328.04123860000004)
2-(3-Bromo-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C13H18BBrO2S (328.03038580000003)
(+)-3-bromocamphor-10-sulfonic acid hydr
C10H17BrO5S (327.99800120000003)
6,7,8-Trifluor-1-(formylmethylamino)-1,4-dihydro-4-oxo-3-chinolincarbonsaeure-ethylester
[4-(2-Amino-4-methyl-thiazol-5-YL)-pyrimidin-2-YL]-(3-nitro-phenyl)-amine
3-[(3-Nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid
3,5-cyclic AMP(1-)
An organophosphate oxoanion that is the conjugate base of 3,5-cyclic AMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2,3-Dihydroxypropyl 5-deoxy-5-(dimethylarsinyl)-beta-D-Ribofuranoside
C10H21AsO7 (328.05031759999997)
Benzenesulfonic acid, 4-((4-hydroxy-1-naphthalenyl)azo)-
2,3,6a,9a-Tetrahydro-3-hydroxy-4-methoxycyclopenta(c)furo(3,2:4,5)furo(2,3-h)(1)benzopyran-1,11-dione
beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl
4-[(1,4-Dioxo-2-naphthalenyl)amino]benzenesulfonamide
3-[5-[Oxo-(3-pyridinylamino)methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester
N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester
C17H13ClN2O3 (328.06146580000006)
1-(3,5-Dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dione
C14H14Cl2N2O3 (328.03814339999997)
3-[2-(2,4-Dichlorophenoxy)ethoxy]-2-nitropyridine
C13H10Cl2N2O4 (328.00176000000005)
5,6-Dichloro-3-pyridinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
C13H10Cl2N2O4 (328.00176000000005)
4-(5-Ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)phenyl hydrogen sulfate
C12H12N2O7S (328.03652020000004)
3,3,4,4,5,5,6,6,6-Nonafluorohexylphosphonic acid
C6H6F9O3P (327.99108440000003)
3,3,4,4,5,5,6,6,7,7,7-Undecafluoroheptanoic acid
C7H3F11O2 (327.99573899999996)
Eberconazole
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives C254 - Anti-Infective Agent > C514 - Antifungal Agent
1,1,2,2,3,3,4,4,5-Nonafluorohexane-1-sulfonic acid
(1R,5S,6S)-5-(1-carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-nitro-1H-purin-6-one
5-(1-Carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid
(1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid
3-[(4-Ethylsulfonyl-2-nitrophenyl)thio]-4-methyl-1,2,4-triazole
2-[2-(2-Oxo-benzothiazol-3-yl)-acetylamino]-benzoic acid
5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester
C18H16O4S (328.07692560000004)
3-(2,2-dichlorovinyl)-N-(2-fluorobenzylidene)-2,2-dimethylcyclopropanecarbohydrazide
C15H15Cl2FN2O (328.05454119999996)
(2R,3S,4S,4aS,10bR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one
4-hydroxy-5-oxido-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
[[1-[(4-Fluorophenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea
(3-Bromo-4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione
N-{[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N-phenylurea
N-[(2,1,3-benzothiadiazol-4-ylamino)-sulfanylidenemethyl]-4-methylbenzamide
4-[2-(1,3-Benzodioxol-5-ylamino)-4-thiazolyl]benzene-1,3-diol
N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
[4-(6-Aminopurin-9-yl)-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
5-(4-Chlorophenyl)-4-(4-methylbenzoyl)oxolane-2,3-dione
C18H13ClO4 (328.05023280000006)
3,4,5-Trihydroxy-6-[2-(3-hydroxyphenyl)acetyl]oxyoxane-2-carboxylic acid
6-(5-Ethenyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(2Z)-2-[[4-(trifluoromethyl)anilino]methylidene]-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3,5-dione
4-(7-Methoxy-2-oxochromen-6-yl)butan-2-yl hydrogen sulate
(5Z)-3-(3,4-dihydroxyphenyl)-5-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyfuran-2-one
10-Amino-9-iodo-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Aflatoxin Q1
A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at the pro-3S position is replaced by a hydroxy group. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
2,3-Epoxyaflatoxin B1
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins D009676 - Noxae > D002273 - Carcinogens
3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
4-((2-Hydroxy-1-naphthyl)azo)benzenesulphonic acid
6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
aflatoxin B1 endo-8,9-oxide
A member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin B1.
2,3-cyclic AMP(1-)
An organophosphate oxoanion which is obtained from 2,3-cyclic AMP by removal of a proton from the cyclic phosphate group.
ERK-IN-4
C14H17ClN2O3S (328.06483620000006)
ERK-IN-4 is an ERK inhibitor binds preferentially to ERK2 with a Kd of 5 μM. ERK-IN-4 specificity inhibits ERK Rsk-1 and Elk-1 phosphorylation. ERK-IN-4 has little effect on ERK protein phosphorylation by its upstream activator MEK1/2[1].
NMDAR/TRPM4-IN-2
C11H19BrCl2N2 (328.01085739999996)
NMDAR/TRPM4-IN-2 (compound 8) is a potent NMDAR/TRPM4 interaction interface inhibitor. NMDAR/TRPM4-IN-2 shows neuroprotective activity. NMDAR/TRPM4-IN-2 prevents NMDA-induced cell death and mitochondrial dysfunction in hippocampal neurons, with an IC50 of 2.1 μM. NMDAR/TRPM4-IN-2 protects mice from MCAO-induced brain damage and NMDA-induced retinal ganglion cell loss[1]. NMDAR/TRPM4-IN-2 (compound 8) is a potent NMDAR/TRPM4 interaction interface inhibitor. NMDAR/TRPM4-IN-2 shows neuroprotective activity. NMDAR/TRPM4-IN-2 prevents NMDA-induced cell death and mitochondrial dysfunction in hippocampal neurons, with an IC50 of 2.1 μM. NMDAR/TRPM4-IN-2 protects mice from MCAO-induced brain damage and NMDA-induced retinal ganglion cell loss[1].
1,3,6-trihydroxy-2-methoxy-10h-5,11-dioxatetraphen-12-one
9-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(1s,2r,6r,6's)-4-bromo-4'-(hydroxymethyl)-1,3,3-trimethyl-7-oxaspiro[bicyclo[4.1.0]heptane-2,1'-cyclohexane]-3',4-dien-6'-ol
C15H21BrO3 (328.06739760000005)
methyl 3,4,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
(1s,5r,6r)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl 3-chloro-2-hydroxybenzoate
(1s,3r,4s,6r,7s,9r)-4-bromo-3-ethyl-9-[(2z)-pent-2-en-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decan-6-ol
C15H21BrO3 (328.06739760000005)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxynaphthalene-1,4-dione
2-(2h-1,3-benzodioxol-5-yl)-3,5-dihydroxy-7-methoxychromen-4-one
13-hydroxy-14-methoxy-3,5,9,16-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),11,13,15(19)-hexaene-10,17-dione
(2s,4r,5r,6s,7r)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-13-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
(3r,3'r,4's,5'r)-3',4',5,7-tetrahydroxy-5'-(hydroxymethyl)-6-methoxy-4h-spiro[2-benzopyran-3,2'-oxolan]-1-one
1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
methyl 5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-3-carboxylate
(1s,3r,10s,12s)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
C15H21BrO3 (328.06739760000005)
3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid
(1r,3r,4s,6r,7r)-4-bromo-3-ethyl-9-(pent-2-en-4-yn-1-yl)-2,8-dioxabicyclo[5.2.1]decan-6-ol
C15H21BrO3 (328.06739760000005)
2,5,7-trihydroxy-2h-9',11'-dioxaspiro[1-benzopyran-3,4'-tricyclo[6.3.0.0³,⁶]undecane]-1'(8'),2',6'-trien-4-one
2',3'-dihydroxypropyl [5-deoxy-5-(demethylarsinyl)]ribofuranoside
C10H21AsO7 (328.05031759999997)
{"Ingredient_id": "HBIN004054","Ingredient_name": "2',3'-dihydroxypropyl [5-deoxy-5-(demethylarsinyl)]ribofuranoside","Alias": "NA","Ingredient_formula": "C10H21AsO7","Ingredient_Smile": "NA","Ingredient_weight": "328.19","OB_score": "NA","CAS_id": "103476-61-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8934","PubChem_id": "NA","DrugBank_id": "NA"}
aflatoxin g1
{"Ingredient_id": "HBIN014778","Ingredient_name": "aflatoxin g1","Alias": "NA","Ingredient_formula": "C17H12O7","Ingredient_Smile": "COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1","Ingredient_weight": "328.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "673","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15939117","DrugBank_id": "NA"}
(1s,3r,5s,7s,8s)-10-bromo-7,11,11-trimethyl-3-(prop-1-en-2-yl)-4,6-dioxatricyclo[5.4.0.0¹,⁵]undec-9-en-8-ol
C15H21BrO3 (328.06739760000005)
2-[(1-hydroxyethylidene)amino]-8-(hydroxymethyl)-3-oxophenoxazine-1-carboxylic acid
5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-2-benzofuran-1-one
(1r,3s,4r,6s,7r,9r)-4-bromo-3-ethyl-9-[(2e)-pent-2-en-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decan-6-ol
C15H21BrO3 (328.06739760000005)
5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl acetate
(2r,4s,5r,6r,7s)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-13-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
3,12-dihydroxy-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
ethyl 7-chloro-2-oxo-4-phenylchromene-3-carboxylate
C18H13ClO4 (328.05023280000006)
methyl 3,6,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
(1s,3r,10r,12s)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
C15H21BrO3 (328.06739760000005)
(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methyl acetate
3-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid
5'-(hydroxymethyl)-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol
1,6-dihydroxy-8-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
[5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]methyl (2e)-2-methylbut-2-enoate
C18H16O2S2 (328.05916759999997)
5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-2-benzofuran-1-one
3,5-dihydroxy-13,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
(2r,4r,5r,6s,7r)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-13-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
8-bromo-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodeca-4,9-diene-3,11-diol
C15H21BrO3 (328.06739760000005)
(1r)-1-[(2r,3as,5r,6as)-5-[(1s)-1-bromopropyl]-hexahydrofuro[3,2-b]furan-2-yl]hex-3-en-5-yn-1-ol
C15H21BrO3 (328.06739760000005)
(2z,4z)-2-(1-bromopropylidene)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-3,6,7,8-tetrahydrooxocine
(1s)-6,8,11,17,19,23-hexaoxahexacyclo[11.10.0.0²,¹⁰.0⁵,⁹.0¹⁴,²².0¹⁶,²⁰]tricosa-2(10),3,5(9),14,16(20),21-hexaen-13-ol
(1s,3r,12s)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
C15H21BrO3 (328.06739760000005)
(2s,5s,6s,7r)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-13-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
5-(5,7-dihydroxy-4-oxochromen-3-yl)-3-hydroxy-2-methoxybenzaldehyde
(1r,3r,4s,6r,7r,9r)-4-bromo-3-ethyl-9-[(2e)-pent-2-en-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decan-6-ol
C15H21BrO3 (328.06739760000005)
14-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
(1r,3e)-1-[(2r,4s,5s)-4-bromo-5-{[(2r,3r)-3-ethyloxiran-2-yl]methyl}oxolan-2-yl]hex-3-en-5-yn-1-ol
C15H21BrO3 (328.06739760000005)
2-(7-hydroxy-6-methoxy-4-oxochromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
1,3,8-trihydroxy-6-(1-hydroxy-2-oxopropyl)anthracene-9,10-dione
(2r,3r,4s,5s)-2-[(2r)-2,3-dihydroxypropoxy]-5-[(dimethylarsoryl)methyl]oxolane-3,4-diol
C10H21AsO7 (328.05031759999997)
methyl 3,7,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
(3e,5e)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylhepta-3,5-dien-2-one
[5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]methyl (2z)-2-methylbut-2-enoate
C18H16O2S2 (328.05916759999997)
3,14-dihydroxy-5,13-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
7-hydroxy-6,8-dimethoxy-9,10-dioxoanthracene-2-carboxylic acid
1-{4-bromo-5-[(3-ethyloxiran-2-yl)methyl]oxolan-2-yl}hex-3-en-5-yn-1-ol
C15H21BrO3 (328.06739760000005)
4-bromo-3-ethyl-9-(pent-2-en-4-yn-1-yl)-2,8-dioxabicyclo[5.2.1]decan-6-ol
C15H21BrO3 (328.06739760000005)
(2z,4z,7s,8s)-2-(1-bromopropylidene)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-3,6,7,8-tetrahydrooxocine
[5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]methyl 2-methylbut-2-enoate
C18H16O2S2 (328.05916759999997)
(2z,4z,7r,8r)-2-(1-bromopropylidene)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-3,6,7,8-tetrahydrooxocine
(3r,7s)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹³,¹⁸]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
9-[(acetyloxy)methyl]-2-amino-3-oxophenoxazine-1-carboxylic acid
ethyl 6-chloro-2-oxo-4-phenylchromene-3-carboxylate
C18H13ClO4 (328.05023280000006)
3,6,9,11-tetrahydroxy-10-methyl-6h-5,7-dioxatetraphen-12-one
2-(2,3-dihydroxypropoxy)-5-[(dimethylarsoryl)methyl]oxolane-3,4-diol
C10H21AsO7 (328.05031759999997)
methyl 5-hydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-3-carboxylate
1-(5-bromo-6-ethyl-3-hydroxyoxan-2-yl)oct-5-en-7-yn-2-one
C15H21BrO3 (328.06739760000005)
12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
C15H21BrO3 (328.06739760000005)
(1r,3r,4s,6r,7r)-4-bromo-3-ethyl-9-[(2z)-pent-2-en-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decan-6-ol
C15H21BrO3 (328.06739760000005)
9-hydroxy-7-(2-hydroxy-5-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(2r,5'r,7s,7as)-5'-(hydroxymethyl)-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol
methyl 7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10h-phenazine-1-carboxylate
(1r,3r,6s,8r,11r)-8-bromo-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodeca-4,9-diene-3,11-diol
C15H21BrO3 (328.06739760000005)
5,14-dihydroxy-3,13-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
6,7-dihydroxy-2-(7-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
(2e,4z,7s)-2-(1-bromopropylidene)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-3,6,7,8-tetrahydrooxocine
4,9-dihydroxy-7-(4-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
9-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid
4-bromo-3-ethyl-9-[(2e)-pent-2-en-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decan-6-ol
C15H21BrO3 (328.06739760000005)
10-bromo-7,11,11-trimethyl-3-(prop-1-en-2-yl)-4,6-dioxatricyclo[5.4.0.0¹,⁵]undec-9-en-8-ol
C15H21BrO3 (328.06739760000005)
6,14-dihydroxy-5,13-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
[5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]methyl 3-methylbut-2-enoate
C18H16O2S2 (328.05916759999997)
13-hydroxy-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
(5r)-6-[(1r)-1-hydroxyethyl]-3-[(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
6,7-dihydroxy-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
(12s)-2,9-dihydroxy-12-(4-hydroxyphenyl)-4,7,11-trioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),5,9-tetraen-14-one
(5z)-1-[(2r,3r,5s,6r)-5-bromo-6-ethyl-3-hydroxyoxan-2-yl]oct-5-en-7-yn-2-one
C15H21BrO3 (328.06739760000005)
(1r,3s,4r,6s,7r,9r)-4-bromo-3-ethyl-9-(pent-2-en-4-yn-1-yl)-2,8-dioxabicyclo[5.2.1]decan-6-ol
C15H21BrO3 (328.06739760000005)
8-(1-bromopropylidene)-3-chloro-2-(pent-2-en-4-yn-1-yl)-2,3,4,7-tetrahydrooxocine
(11s)-8-hydroxy-5-methoxy-11-methyl-12,16-dioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,4,7,9(17),13-pentaene-3,6,15-trione
(3r,8ar)-3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-1-hydroxy-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
C14H14Cl2N2O3 (328.03814339999997)
3',4',5,7-tetrahydroxy-5'-(hydroxymethyl)-6-methoxy-4h-spiro[2-benzopyran-3,2'-oxolan]-1-one
3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-1-hydroxy-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
C14H14Cl2N2O3 (328.03814339999997)
(1r,3z)-1-[(2r,3as,5r,6as)-5-[(1s)-1-bromopropyl]-hexahydrofuro[3,2-b]furan-2-yl]hex-3-en-5-yn-1-ol
C15H21BrO3 (328.06739760000005)