Exact Mass: 328.0446936
Exact Mass Matches: 328.0446936
Found 500 metabolites which its exact mass value is equals to given mass value 328.0446936,
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].
Ophiogonanone A
Ophiopogonanone A is a homoflavonoid. Ophiopogonanone A is a natural product found in Ophiopogon japonicus with data available. Ophiopogonanone A is a homoisoflavonoidal compound isolated as a constitutent of Ophiopogonis tuber[1]. Ophiopogonanone A is a homoisoflavonoidal compound isolated as a constitutent of Ophiopogonis tuber[1].
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
Betagarin
Constituent of the leaves of sugar beet (Beta vulgaris) infected with Cercospora beticola. Betagarin is found in red beetroot, common beet, and root vegetables. Betagarin is found in common beet. Betagarin is a constituent of the leaves of sugar beet (Beta vulgaris) infected with Cercospora beticola
7-Hydroxy-2,4,5-trimethoxyisoflavone
A hydroxyisoflavone that is isoflavone substituted by a hydroxy group at position 7 and methoxy groups at the 2, 4 and 5 positions.
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
Salvigenin
Salvigenin, also known as psathyrotin or 7-O-methylpectolinarigenin, is a member of the class of compounds known as 7-O-methylated flavonoids. 7-O-Methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, salvigenin is considered to be a flavonoid lipid molecule. Salvigenin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Salvigenin has been detected, but not quantified in, several different foods, such as rosemaries, mandarin orange (clementine, tangerine), common sages, sweet basils, and peppermints. This could make salvigenin a potential biomarker for the consumption of these foods. BioTransformer predicts that salvigenin is a product of tetramethylscutellarein metabolism via an O-dealkylation reaction catalyzed by CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP2E1, and CYP3A4 enzymes (PMID: 30612223). Salvigenin, also known as 5-hydroxy-6,7,4-trimethoxyflavone or 7-O-methylpectolinarigenin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, salvigenin is considered to be a flavonoid lipid molecule. Salvigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Salvigenin can be found in a number of food items such as sweet basil, mandarin orange (clementine, tangerine), common sage, and peppermint, which makes salvigenin a potential biomarker for the consumption of these food products. Salvigenin is a trimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4, 6, and 7 are replaced by methoxy groups. It has a role as an autophagy inducer, an apoptosis inhibitor, an antilipemic drug, an immunomodulator, an antineoplastic agent, a neuroprotective agent, a hypoglycemic agent and a plant metabolite. It is a trimethoxyflavone and a monohydroxyflavone. It is functionally related to a scutellarein. Salvigenin is a natural product found in Liatris elegans, Achillea santolina, and other organisms with data available. See also: Tangerine peel (part of). A trimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4, 6, and 7 are replaced by methoxy groups. Salvigenin is a natural polyphenolic compound, with neuroprotective effect. Salvigenin has antitumor cytotoxic and immunomodulatory properties. Salvigenin inhibits H2O2-induced cell apoptosis[1][2]. Salvigenin is a natural polyphenolic compound, with neuroprotective effect. Salvigenin has antitumor cytotoxic and immunomodulatory properties. Salvigenin inhibits H2O2-induced cell apoptosis[1][2].
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
7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
7-Hydroxy-3,4',8-trimethoxyflavone
7-Hydroxy-3,4,8-trimethoxyflavone is found in pulses. 7-Hydroxy-3,4,8-trimethoxyflavone is a constituent of the leaves of the famine food Parkia clappertoniana. Constituent of the leaves of the famine food Parkia clappertoniana. 7-Hydroxy-3,4,8-trimethoxyflavone is found in pulses.
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
Americanin A
Constituent of Phytolacca americana (pokeberry). Americanin A is found in fruits, green vegetables, and american pokeweed. Americanin A is found in american pokeweed. Americanin A is a constituent of Phytolacca americana (pokeberry)
5-Hydroxy-4,4',6-trimethoxyaurone
5-Hydroxy-4,4,6-trimethoxyaurone is found in fats and oils. 5-Hydroxy-4,4,6-trimethoxyaurone is isolated from the flowers of Helianthus annuus (sunflower). Isolated from the flowers of Helianthus annuus (sunflower). 5-Hydroxy-4,4,6-trimethoxyaurone is found in sunflower and fats and oils.
Isoamericanin A
Isoamericanin A is found in american pokeweed. Isoamericanin A is isolated from seeds of Phytolacca americana (pokeberry). Isolated from seeds of Phytolacca americana (pokeberry). Isoamericanin A is found in fruits and american pokeweed.
5-Hydroxy-4',7,8-trimethoxyflavone
5-Hydroxy-4,7,8-trimethoxyflavone is found in citrus. 5-Hydroxy-4,7,8-trimethoxyflavone is from the peel of Citrus reticulata (mandarin). From the peel of Citrus reticulata (mandarin). 7,8,4-Trimethylisoscutellarein is found in citrus.
Zapotinin
Zapotinin is found in pomes. Zapotinin is a constituent of Casimiroa edulis (Mexican apple)
Morusignin B
Morusignin B is found in fruits. Morusignin B is a constituent of Morus insignis (mangosteen). Constituent of Morus insignis (mangosteen). Morusignin B is found in fruits.
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).
Garbogiol
Garbogiol is a constituent of Garcinia cambogia. Constituent of Garcinia cambogia.
Americanin D
Constituent of Phytolacca americana (pokeberry). Americanin D is found in fruits and green vegetables. Americanin D is found in fruits. Americanin D is a constituent of Phytolacca americana (pokeberry).
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
Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate
Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate is found in pulses. Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate is isolated from the root exudates of iron-deficient Medicago sativa (alfalfa). Isolated from the root exudates of iron-deficient Medicago sativa (alfalfa). Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate is found in pulses.
Ugaxanthone
Ugaxanthone is found in fruits. Ugaxanthone is a constituent of Garcinia dulcis (mundu)
3,4,5-trihydroxy-6-(4-methoxybenzoyloxy)oxane-2-carboxylic acid
Frenolicin B
Antibiotic feed additive especially for poultry and pigs. Antibiotic feed additive especies for poultry and pigs.
8-Hydroxy-4',5,7-trimethoxyflavone
8-Hydroxy-4,5,7-trimethoxyflavone is a constituent of Citrus sp. [CCD]. Constituent of Citrus species [CCD]
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
N-(6-Methoxy-8-quinolyl)-4-toluenesulfonamide
C17H16N2O3S (328.08815860000004)
6-{3-[(Pyridin-2-yl)disulfanyl]propanamido}hexanoic acid
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
2,5-Furandione, 3,4-di-1H-indol-3-yl-
C20H12N2O3 (328.08478820000005)
3-Hydroxy-1,5,6-trimethoxy-2-methyl-9,10-anthraquinone
10-Bromo-5,10-epoxy-3,8-chamigradiene-2,7-diol
C15H21BrO3 (328.06739760000005)
1,3,6,7-Tetrahydroxy-8-(3-methylbut-2-enyl)xanthone
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)
3-Hydroxy-5,7,4-trimethoxyflavone
3-Hydroxy-5,7,4′-trimethoxyflavone is a flavonol can be isolated from Cucubalus baccifer (L.)[1].
hyperxanthone E
A pyranoxanthene that is 2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one substituted by hydroxy groups at positions 5, 9 and 11 and geminal methyl groups at position 3. Isolated from the aerial parts of Hypericum scabrum, it exhibits cytotoxicity for human tumour cells.
Luteolin 7,3,4-trimethyl ether
7,3',4'-Tri-O-methylluteolin (5-Hydroxy-3',4',7-trimethoxyflavone), a flavonoid compound, possesses potent anti-inflammatory effects in LPS-induced macrophage cell line mediated by inhibition of release of inflammatory mediators, NO, PGE2, and pro-inflammatory cytokines. 7,3',4'-Tri-O-methylluteolin significantly induces reduction in the mRNA expressions of inducible nitric oxide synthase and cyclooxygenase-2[1]. 7,3',4'-Tri-O-methylluteolin (5-Hydroxy-3',4',7-trimethoxyflavone), a flavonoid compound, possesses potent anti-inflammatory effects in LPS-induced macrophage cell line mediated by inhibition of release of inflammatory mediators, NO, PGE2, and pro-inflammatory cytokines. 7,3',4'-Tri-O-methylluteolin significantly induces reduction in the mRNA expressions of inducible nitric oxide synthase and cyclooxygenase-2[1].
3,7,4-Tri-O-methylkaempferol
Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1]. Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1].
5-Hydroxy-7,2,5-trimethoxyflavone
5-Hydroxy-7,2,6-trimethoxyflavone
6,8-Di-C-methylluteolin 7-methyl ether
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
3-(4-methoxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-one
3-Formyl-2,6,beta-trihydroxy-4-methoxy-5-methylchalcone
5,3-Dihydroxy-2-methoxy-6,7-methylenedioxyisoflavone
Betagarin
An extended flavonoid that is 6,7-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 2 respectively.
Salvigenin
Salvigenin is a natural polyphenolic compound, with neuroprotective effect. Salvigenin has antitumor cytotoxic and immunomodulatory properties. Salvigenin inhibits H2O2-induced cell apoptosis[1][2]. Salvigenin is a natural polyphenolic compound, with neuroprotective effect. Salvigenin has antitumor cytotoxic and immunomodulatory properties. Salvigenin inhibits H2O2-induced cell apoptosis[1][2].
6-Hydroxy-5,7,4-trimethoxyflavone
Isoscutellarein 7,8,4-trimethyl ether
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
3-HYDROXY-3,4,5-TRIMETHOXYFLAVONE
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.258 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.259 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.257
5,9,10-trihydroxy-1,2,2-trimethyl-1,2-dihydro-6h-furo[2,3-c]xanthen-6-one
4-(1,1-Dimethyl-2-propenyl)-1,3,5,8-tetrahydroxy-9H-xanthene-9-one
2-hydroxy-3-methylpentanoic acid p-bromophenacyl ester
1,3,7-trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-xanthone
1,7-dihydroxy-3,9-dimethoxycoumestan|hedysarimcoumestan F
2-Methoxy-3-hydroxy-5-(4-oxo-5,7-dihydroxy-4H-1-benzopyran-3-yl)benzaldehyde
(R)-3,5-dihydroxy-4,7-dimethoxyspiro[2H-1-benzopyran-3(4H),7-bicyclo[4.2.0]-octa[1,3,5]-trien]-4-one
5,7-Dihydroxy 3,4-dimethoxyspiro[chroman-3,7-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one
9,10-Dihydro-3,4,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
(3R)-4,6-dimethoxy-3-[4-oxo-6-{(1E)-prop-1-en-1-yl}-4-H-pyran-3-yl]-2-benzofuran-1(3H)one|Fijiensin|Vermistatin
4-Me ether-Punctatin+|4-O-Methyl-punctatin|5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzyliden)-chroman-4-on
2,5,7-Trihydroxyspiro[4H-1-benzopyran-3(2H),5(6H)-cyclobuta[f]-1,3-benzodioxole]-4-one
5-Me ether,1-Et ether-1,3,5-Trihydroxy-2-hydroxymethylanthraquinone
4,9-Dihydroxyphenazine-1,6-dicarboxylic acid dimethyl ester
N-<4-Hydroxy-phenyl>-harnstoff-O-glucosiduronsaeure|O1-(4-ureido-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Ureido-phenyl)-beta-D-glucopyranuronsaeure
2-Acetyl-1,5,6,8-tetrahydroxy-3-methylanthraquinone
6-Me ether-3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid
O1-(2-Carbazoyl-phenyl)-beta-D-glucopyranuronsaeure|O1-(2-hydrazinocarbonyl-phenyl)-beta-D-glucopyranuronic acid
3,5-Dihydroxy-7-methoxy-3,4-(methylenebisoxy)flavone
(2S)-5,8,4-trihydroxy-6,7-(vinylenedioxy)flavanone
(S)-8-formyl-3,5-dihydroxy-7-methoxy-6-methylflavanone
Diplotrin C
A monohydroxyflavone that is flavone substituted by a hydroxy group at position 2 and methoxy groups at positions 7, 4 and 5. It has been isolated from the aerial parts of Mimosa diplotricha.
1-Hydroxy-2,3,4-trimethoxy-7-methylanthracene-9,10-dione
3,8-dihydroxy-6-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
5,2-dihydroxy-5-methoxy-6,7-methylenedioxyisoflavone|tetranins B
6-hydroxy-2,7,8-trimethoxy-9,10-dihydro-5H-phenanthro[4,5-bcd]pyran-5-one|ochracinone
7-Hydroxy-3-(2-hydroxyphenyl)-5,6-dimethoxy-8-methyl-4H-1-benzopyran-4-one
6-Hydroxy-3-(2-hydroxyphenyl)-5,7-dimethoxy-8-methyl-4H-1-benzopyran-4-one
Ethyl 6-chloro-2-oxo-4-phenyl-chromene-3-carboxylate
C18H13ClO4 (328.05023280000006)
2-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-6,8-dihydroxychromone
6,9-dihydroxy-7-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one|loasin B
1,3-dihydroxy-6-(2-hydroxypropyl)-8-methoxyanthracene-9,10-dione
(7Z)-9-nor-3,4,4-trihydroxy-3-methoxylign-7-ene-9,7-lactone|tectonoelin A
5-methoxy-3?,4?-dihydroxy-6,7-methylenedioxy-4H-1-benzopyran-4-one|iriskashmirianin A
Kaempferol 3,7,4-trimethyl ether
Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1]. Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1].
1,5,6-Trimethoxy-2-methyl-3-hydroxy-9,10-anthraquinone
5,8-dihydroxy-4-methoxy-6,7-methylenedioxyisoflavone|6,7-Methylene,4-Me ether-4,5,6,7,8-Pentahydroxyisoflavone
4,5-dihydro-1,6,7-trihydroxy-4,4,5-trimethylfurano(2,3:3,4)xanthone
5-hydroxy-7-methoxy-6-methyl-3-(3,4-dihydroxybenzyl)chromone|7-Me ether-3-(3,4-Dihydroxybenzl)-5,7-dihydroxy-6-methylchromone
9,10-Dihydro-3,7,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylic Acid
8-hydroxy-1,2,3-trimethoxy-6-methylanthracene-9,10-dione
Oxazepam acetate
C17H13ClN2O3 (328.06146580000006)
2-hydroxy-1,3,7-trimethoxy-6-methy1-9,10-anthraquinone|6-hydroxy-3,5,7-trimethoxy-2-methy1-9,10-anthraquinone|chionone
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
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-1 ,3-propanedione
2,8-dimethoxy-6-methyl-9-oxo-9h-xanthene-1-carboxylic acid methyl ester
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
O1-(4-Carbazoyl-phenyl)-beta-D-glucopyranuronsaeure|O1-(4-hydrazinocarbonyl-phenyl)-beta-D-glucopyranuronic acid
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)
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
(3-BROMOPHENOXY)TRIISOPROPYLSILANE 97
C15H25BrOSi (328.08579399999996)
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)
Tetrakis(dimethylsilyl) Orthosilicate
C8H28O4Si5 (328.08338879999997)
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
1-Benzyl-2-(perfluoropropyl)-4,5-dihydro-1H-imidazole
C13H11F7N2 (328.08104099999997)
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
TSQ
C17H16N2O3S (328.08815860000004)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
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)
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
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
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
(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)
Thiazolidine, 2-(4-methylphenyl)-3-(4-nitrobenzoyl)- (9CI)
C17H16N2O3S (328.08815860000004)
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)
METHYL 2-([[2-(ETHYLTHIO)-3-PYRIDYL]CARBONYL]AMINO)-4-(METHYLTHIO)BUTANOATE
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
N-(2-fluorophenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]urea
C15H12F4N2O2 (328.08348599999994)
4-METHOXY-2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE
C11H15F3O4SSi (328.04123860000004)
benzyl 6-methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C17H16N2O3S (328.08815860000004)
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
9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
C20H12N2O3 (328.08478820000005)
[4-(2-Amino-4-methyl-thiazol-5-YL)-pyrimidin-2-YL]-(3-nitro-phenyl)-amine
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
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide
C17H16N2O3S (328.08815860000004)
3,4-dimethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
C17H16N2O3S (328.08815860000004)
3,4-dimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
C17H16N2O3S (328.08815860000004)
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)
3,3,4,4,5,5,6,6,7,7,7-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
(1R,5S,6S)-5-(1-carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid
5-[(E)-3-(2-carboxy-4-hydroxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenolate
C17H14NO6- (328.08210840000004)
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
1-[2-(Difluoromethoxy)-4-methylphenyl]-3-(2,4-difluorophenyl)urea
C15H12F4N2O2 (328.08348599999994)
3-[(4-Ethylsulfonyl-2-nitrophenyl)thio]-4-methyl-1,2,4-triazole
2-[2-(2-Oxo-benzothiazol-3-yl)-acetylamino]-benzoic acid
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
C17H16N2O3S (328.08815860000004)
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
3-methylbut-2-enyl [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
C11H21O9P (328.09231460000007)
5-(4-Chlorophenyl)-4-(4-methylbenzoyl)oxolane-2,3-dione
C18H13ClO4 (328.05023280000006)
Diphosphoric acid alpha-[(Z)-2,3,7-trimethyl-2,6-octadienyl] ester
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
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
avenanthramide B(1-)
C17H14NO6 (328.08210840000004)
A hydroxybenzoate that is the conjugate base of avenanthramide B, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.
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)