Exact Mass: 358.0868
Exact Mass Matches: 358.0868
Found 500 metabolites which its exact mass value is equals to given mass value 358.0868,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chrysoobtusin
Chryso-obtusin is a monohydroxyanthraquinone. Chrysoobtusin is a natural product found in Senna obtusifolia and Senna tora with data available. Isolated from seeds of Cassia tora (charota). Chrysoobtusin is found in coffee and coffee products, herbs and spices, and pulses. Chrysoobtusin is found in coffee and coffee products. Chrysoobtusin is isolated from seeds of Cassia tora (charota). Chrysoobtusin is an anthraquinone derivative isolated from Semen Cassiae. Semen Cassiae has long been used to protect liver, brighten eyes, and relieve constipation[1][2]. Chrysoobtusin is an anthraquinone derivative isolated from Semen Cassiae. Semen Cassiae has long been used to protect liver, brighten eyes, and relieve constipation[1][2].
Pantetheine 4'-phosphate
Pantetheine 4-phosphate, or 4-phosphopantetheine, is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It can be generated from Pantatheine (via pantothenate kinase 1) or R-4-Phospho-pantothenoyl-L-cysteine (via phosphopantothenoylcysteine decarboxylase) or Dephospho-CoA (via 4-phosphopantetheine adenylyl-transferase and ectonucleotide pyrophosphatase). In most mammals, coenzyme A can be hydrolyzed to pantetheine and pantothenate in the intestinal lumen via the following series of reactions: coenzyme A leads to phosphopantetheine leads to pantetheine leads to pantothenate. The conversion of 4-phosphopantetheine (4-PP) to dephospho-CoA, is catalyzed by 4-phosphopantetheine adenylyl-transferase. In mammalian systems, this step may occur in the mitochondria or in the cytosol. (PMID: 1746161) It has been identified as an essential cofactor in in the biosynthesis of fatty acids, polyketides, depsipeptides, peptides, and compounds derived from both carboxylic and amino acid precursors. In particular it is a key prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. Phosphopantetheine fulfils two demands. Firstly, the intermediates remain covalently linked to the synthases (or synthetases) in an energy-rich thiol ester linkage. Secondly, the flexibility and length of phosphopantetheine chain (approximately 2 nm) allows the covalently tethered intermediates to have access to spatially distinct enzyme active sites. 4-phosphopantetheine is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It can be generated from Pantatheine (via pantothenate kinase 1) or R-4-Phospho-pantothenoyl-L-cysteine (via phosphopantothenoylcysteine decarboxylase) or Dephospho-CoA (via 4-phosphopantetheine adenylyl-transferase and ectonucleotide pyrophosphatase). In most mammals, coenzyme A can be hydrolyzed to pantetheine and pantothenate in the intestinal lumen via the following series of reactions: coenzyme A leads to phosphopantetheine leads to pantetheine leads to pantothenate. The conversion of 4-phosphopantetheine (4-PP) to dephospho-CoA, is catalyzed by 4-phosphopantetheine adenylyl-transferase. In mammalian systems, this step may occur in the mitochondria or in the cytosol. (PMID: 1746161) It has been identified as an essential cofactor in in the biosynthesis of fatty acids, polyketides, depsipeptides, peptides, and compounds derived from both carboxylic and amino acid precursors. In particular it is a key prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. Phosphopantetheine fulfils two demands. Firstly, the intermediates remain covalently linked to the synthases (or synthetases) in an energy-rich thiol ester linkage. Secondly, the flexibility and length of phosphopantetheine chain (approximately 2 nm) allows the covalently tethered intermediates to have access to spatially distinct enzyme active sites. [HMDB]
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole
N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole (or alpha-ribazole-5-Phosphate) is an intermediate in Riboflavin metabolism. In particular, alpha-Ribazole 5-phosphate is converted from Dimethylbenzimidazole via the enzyme nicotinate-nucleotide-dimethylbenzimidazole. phosphoribosyltransferase (EC 2.4.2.21). It is then converted to alpha-Ribazole via the enzyme (EC 3.1.3.-). N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole (or alpha-ribazole-5-Phosphate) is an intermediate in Riboflavin metabolism. In particular, alpha-Ribazole 5-phosphate is converted from Dimethylbenzimidazole via the enzyme nicotinate-nucleotide-dimethylbenzimidazole
Gardenin B
Gardenin b, also known as demethyltangeretin or 5-hydroxy-4,6,7,8-tetramethoxyflavone, is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, gardenin b is considered to be a flavonoid lipid molecule. Gardenin b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gardenin b can be found in mandarin orange (clementine, tangerine), peppermint, sweet basil, and winter savory, which makes gardenin b a potential biomarker for the consumption of these food products. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1]. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].
versiconal hemiacetal
An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-hydroxyethyl group. An intermediate in the biosynthesis of aflatoxin.
7-Hydroxy-3',4',5,6-tetramethoxyflavone
7-Hydroxy-3,4,5,6-tetramethoxyflavone is found in citrus. 7-Hydroxy-3,4,5,6-tetramethoxyflavone is isolated from Citrus reticulata (manadarin orange). Isolated from Citrus reticulata (manadarin orange). 7-Hydroxy-3,4,5,6-tetramethoxyflavone is found in citrus.
5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone
5,4-Dihydroxy-3,3-dimethoxy-6:7-methylenedioxyflavone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
4'-Hydroxy-5,6,7,8-tetramethoxyflavone
4-Hydroxy-5,6,7,8-tetramethoxyflavone is found in citrus. 4-Hydroxy-5,6,7,8-tetramethoxyflavone is a constituent of mandarin orange (Citrus reticulata). Constituent of mandarin orange (Citrus reticulata). 4-Hydroxy-5,6,7,8-tetramethoxyflavone is found in citrus.
12alpha-Hydroxymunduserone
12alpha-Hydroxymunduserone is found in jicama. 12alpha-Hydroxymunduserone is a constituent of Pachyrrhizus erosus (yam bean) Constituent of Pachyrrhizus erosus (yam bean). 12alpha-Hydroxymunduserone is found in jicama and pulses.
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate is found in herbs and spices. 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate is from Muscari comosum (tassel hyacinth). From Muscari comosum (tassel hyacinth). 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate is found in herbs and spices.
3'-Hydroxy-4',5',7,8-tetramethoxyflavone
3-Hydroxy-4,5,7,8-tetramethoxyflavone is found in fruits. 3-Hydroxy-4,5,7,8-tetramethoxyflavone is a constituent of the roots of Muntingia calabura (Jamaican cherry). Constituent of the roots of Muntingia calabura (Jamaican cherry). 3-Hydroxy-4,5,7,8-tetramethoxyflavone is found in fruits.
5-Hydroxy-3',4',7,8-tetramethoxyflavone
5-Hydroxy-3,4,7,8-tetramethoxyflavone is found in herbs and spices. 5-Hydroxy-3,4,7,8-tetramethoxyflavone is a constituent of bergamot oil. Constituent of bergamot oil. 5-Hydroxy-3,4,7,8-tetramethoxyflavone is found in herbs and spices.
Aflatoxin ExB2
Aflatoxin ExB2 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 Aspergillus flavus
Dihydrocaffeic acid 3-O-glucuronide
Dihydrocaffeic acid 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3,5-dihydroxyphenyl)propanoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Homovanillic acid 4-glucuronide
(2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoyl Chloride
[(3S,3Ar,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate
Retusin
Retusin(ariocarpus), also known as 5-hydroxy-3,7,3,4-tetramethoxyflavone or 3,7,3,4-tetra-O-methylquercetin, 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, retusin(ariocarpus) is considered to be a flavonoid lipid molecule. Retusin(ariocarpus) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Retusin(ariocarpus) can be found in common oregano and mandarin orange (clementine, tangerine), which makes retusin(ariocarpus) a potential biomarker for the consumption of these food products. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1]. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1].
7-Demethyltangeretin
7-demethyltangeretin is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, 7-demethyltangeretin is considered to be a flavonoid lipid molecule. 7-demethyltangeretin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-demethyltangeretin can be found in mandarin orange (clementine, tangerine), which makes 7-demethyltangeretin a potential biomarker for the consumption of this food product.
Dichotomitin
5,3-Dihydroxy-4,5-dimethoxy-6,7-methylenedioxyisoflavone is an isoflavonoid. Dichotomitin is a natural product found in Iris potaninii, Iris germanica, and Iris domestica with data available. Dichotomitin is an isoflavonoid isolated from the rhizomes of Belamcanda chinensis (L.) DC[1]. Dichotomitin is an isoflavonoid isolated from the rhizomes of Belamcanda chinensis (L.) DC[1].
Przewalskinic acid A
Przewalskinic acid A is a natural product found in Lomaridium contiguum, Struthiopteris spicant, and other organisms with data available.
GardeninB
Gardenin B is a tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. It has a role as a plant metabolite. It is a tetramethoxyflavone and a monohydroxyflavone. It is functionally related to a tangeretin. Gardenin B is a natural product found in Citrus tankan, Chromolaena odorata, and other organisms with data available. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1]. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].
Gardenin
Gardenin B is a tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. It has a role as a plant metabolite. It is a tetramethoxyflavone and a monohydroxyflavone. It is functionally related to a tangeretin. Gardenin B is a natural product found in Citrus tankan, Chromolaena odorata, and other organisms with data available. A tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1]. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].
5,7-Trihydroxy-6,8-dimethyl-3-(2-hydroxy-3,4-methylenedioxybenzyl)chromone
(-)-2,3,4-Trimethoxy-8,9-methylenedioxypterocarpan
2,5,7-Trihydroxy-6,8-dimethyl-3-(3,4-methylenedioxybenzyl)-chroman-4-one
5,7-Dimethoxy-3-(3-methoxy-4,5-methylenedioxyphenylmethyl)phthalide
5-Hydroxy-6,7,3,4-tetramethoxyflavone
5-desmethylsinensetin, isolated from Artemisia princeps , possesses antiprotozoal activity. 5-desmethylsinensetin shows IC50 values of 0.4 μg/mL on T. cruzi epimastigotes and 75.1 μg/mL on trypomastigotes, respectively[1]. 5-desmethylsinensetin, isolated from Artemisia princeps , possesses antiprotozoal activity. 5-desmethylsinensetin shows IC50 values of 0.4 μg/mL on T. cruzi epimastigotes and 75.1 μg/mL on trypomastigotes, respectively[1].
Corymbosin
Corymbosin is a natural product found in Walsura trifoliolata, Ipomoea corymbosa, and other organisms with data available.
Isoetin 7,2,4,5-tetramethyl ether
Quercetin 3,5,7,3-tetramethyl ether
8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether
6-C-Methylquercetin 3,7,3-trimethyl ether
5-Hydroxy-2,3,7,8-tetramethoxyflavone
5-hydroxy-7,8,2,5tetramethoxyflavone
4-Hydroxy-3,7,3,5-tetramethoxyflavone
5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one
3,8-Dimethoxy-5,7-dihydroxy-3,4-methylenedioxyflavone
3,7-Dihydroxy-5,6-dimethoxy-3,4-methylenedioxyflavone
Quercetin 5,7,3,4-tetramethyl ether
A tetramethoxyflavone that is the 5,7,3,4-tetramethy-derivative of quercetin.
5,7,3-Trihydroxy-4,5-dimethoxy-6,8-dimethylflavone
5,7,4-Trihydroxy-3,3-dimethoxy-6,8-dimethylflavone
2-(2,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxyflavone
Gardenin B
Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1]. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].
5,4-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone
Hypolaetin 7,8,3,4-tetramethyl ether
12a-Hydroxymunduserone
(+)-4,5,7-tri-O-methyl-2,3-trans-crombeone|Crombeontrimethylether
3,4-dihydroxy-5,2-dimethoxy-6,7-methylendioxy-isoflavone
(+)-episesaminol-6-catechol|2-episesaminol 6-catechol
3,4-dihydro-6,8-dihydroxy-3-(2-acetyl-3-hydroxy-5-methoxy)methyl-1H-[2]benzopyran-1-one
Dimethoxy-3-(3-methoxy-4, 5-methylenedioxybenzyl)phthalide
1,4,6,9-Tetramethyl-3-methoxy-8-hydroxy-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
1,8-dihydroxy-3-(3-hydroxymethyl-4-hydroxybut-2-enyloxy)-6-methylxanthone
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6-trimethyl-11-oxo-, methyl ester
1,4,6,8-Tetrahydroxy-2-(3-methyl-2-butenyl)-3-methoxy-9H-xanthene-9-one
6-8-Di-Me ether-1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid
O1-veratroyl-beta-D-glucopyranuronic acid|O1-Veratroyl-beta-D-glucopyranuronsaeure
(3R)-4,6-dimethoxy-3-[5-methoxy-4-oxo-6-{(1E)-prop-1-en-1-yl}-4-H-pyran-3-yl]-2-benzofuran-1(3H)one|methoxyvermistatin
3,5-Dihydroxy-7,8-dimethoxy-3,4-(methylenebisoxy)flavone
Diplotrin B
A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 3, 7, 8 and 4 and a hydroxy group at position 3. Isolated from the aerial parts of Mimosa diplotricha, it exhibits antiproliferative activity.
3,6,8-trihydroxy-4-methoxy-1-methylanthraquinone-2-carboxylic acid methyl ester|eleuthraquinone B
(7Z)-9-nor-3,4,4-trihydroxy-3,5-dimethoxylign-7-ene-9,7-lactone|tectonoelin B
(1R,2S,5R,6R)-1-hydroxy-2-(3,4-dihydroxyphenyl)-6-(3,4-methylenedioxyphe-nyl)-3,7-dioxabicyclo[3.3.0]octane
2-(1,3-Benzodioxole-5-yl)-3,7-dimethoxy-5,8-dihydroxy-4H-1-benzopyran-4-one
3,5,2-trihydroxy-7,3-dimethoxy-6,8-dimethylflavone
1-Hydroxy-3,8-dimethoxy-9-oxo-9H-xanthene 4-(1-methyl-3-hydroxypropanal)
(7S,8R)-7,8-dihydro-8-(hydroxymethyl)-3-methoxy-7-[3,4-(methylenedioxy)phenyl]benzofuran-1-carboxylic acid methyl ester|toonin C
5,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-8-acetic acid methyl ester
(1R,2R,5R,6R)-1-hydroxy-2-(3,4-methylenedioxyphenyl)-6-(3,4-dihydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
(7alpha,7alpha,8alpha,8alpha)-3-methoxy-9-oxo-7,9,7,9-diepoxylignan-3,4,4-triol|3-demethyl-9-oxo-pinoresinol|syzygiresinol A
3-(1-(3,4-dihydroxyphenyl)ethyl)-7-hydroxy-6,8-dimethoxycoumarin|sarcandracoumarin
dalnigrein
A member of the class of 7-hydroxyisoflavones that is isoflavone having four methoxy substituents at the 2-, 4-, 5- and 6-positions and a hydroxy group at position 7.
2,5,7-Trihydroxy-3-(1,3-benzodioxole-5-ylmethyl)-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
(+-)-5,6,7-Trimethoxy-2-<3,4-methylendioxy-phenyl>-chromanon-(4)|2-Benzo[1,3]dioxol-5-yl-5,6,7-trimethoxy-chroman-4-on|2-benzo[1,3]dioxol-5-yl-5,6,7-trimethoxy-chroman-4-one|Agestricin B methyl ether
(2E)-3-{4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)acetyl]-5-methoxyphenyl}acrylic acid
3,4,4a,5,6,12b-Hexahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
O1-fluoren-2-yl-beta-D-glucopyranuronic acid|O1-Fluoren-2-yl-beta-D-glucopyranuronsaeure
6-Me ether,Me ester-1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid
1-Hydroxy-2,3,5,8-tetramethoxy-6-methylanthracene-9,10-dione
Retusin
Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1]. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1].
3-(3,4-dimethoxy-phenyl)-5-hydroxy-7,8-dimethoxy-chromen-4-one|5-hydroxy-3,4,7,8-tetramethoxyflavone|5-Hydroxy-7,8,3,4-tetramethoxyisoflavon
Retusin_(flavonol)
5-hydroxy-3,3,4,7-tetramethoxyflavone is a monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3,4 and 7. It has a role as a plant metabolite. It is a tetramethoxyflavone, a member of 3-methoxyflavones and a monohydroxyflavone. It is a conjugate acid of a 5-hydroxy-3,3,4,7-tetramethoxyflavone(1-). Retusin is a natural product found in Larrea cuneifolia, Solanum pubescens, and other organisms with data available. A monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3,4 and 7. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1]. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1].
5-demethylsinensetin
5-Hydroxy-3,4,6,7-tetramethoxyflavone is a natural product found in Achillea santolina, Chromolaena odorata, and other organisms with data available. See also: Tangerine peel (part of). 5-desmethylsinensetin, isolated from Artemisia princeps , possesses antiprotozoal activity. 5-desmethylsinensetin shows IC50 values of 0.4 μg/mL on T. cruzi epimastigotes and 75.1 μg/mL on trypomastigotes, respectively[1]. 5-desmethylsinensetin, isolated from Artemisia princeps , possesses antiprotozoal activity. 5-desmethylsinensetin shows IC50 values of 0.4 μg/mL on T. cruzi epimastigotes and 75.1 μg/mL on trypomastigotes, respectively[1].
6-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
[2-acetyl-4-(1,2-dihydroxypropyl)phenyl] 1,3-benzodioxole-5-carboxylate
(6aR,12aR)-12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid_major
5-hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, 2-hydroxyethyl
5,3-dihydroxy-4,5-dimethoxy-6,7-methylenedioxyisoflavone
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate
Aflatoxin ExB2
Dihydrocaffeic acid 3-O-glucuronide
1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid
Disodium phosphate dodecahydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
benzene-1,3-dicarboxylic acid,(E)-but-2-enedioic acid,propane-1,2-diol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-3,4,5-triol
Succinyldisalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
5-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]-1-phenyltetrazole
6-Nitro-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]quino-line
N-[(3-(Anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline (hydrochloride)
2,2,4,4,6,6,8-heptamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
2-[[4-[benzylmethylamino]phenyl]azo]-3-methylthiazolium chloride
2-[2-(4-methylphenyl)-1,1-dioxo-6-phenylthiopyran-4-ylidene]propanedinitrile
Fezolinetant
Fezolinetant is an antagonist of the neurokinin 3 receptor (NK3R), used for the treatment of menopausal hot flushes.
4-broMo-N-(2-(tert-butyldiMethylsilyl)ethyl)-2-nitroaniline
3-(4-ETHOXY-PHENYL)-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
[(Methylthio)methyl]-triphenylphosphonium chloride
(2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
5-[(5-Methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid methyl ester
3,4,5-trimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
Versiconal hydroxyaldehyde form
The tricyclic anthraquinone-hydroxyaldehyde form of versicolorone.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyloxane-3,4,5-triol
(1S,4S,5S)-1,4,5-Trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid
2-(2-Benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(3S,3Ar,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate
5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4,5:4,5]thieno[2,3-c]isoquinoline-8(9H)-thione
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide
2-(6-Methyl-3-benzofuranyl)acetic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-fluorobenzylidene)acetohydrazide
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1$l^{4},4-benzothiazine-6-carboxamide
N2,N4-Bis(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
methyl 4-[2-cyano-2-(4-methylphenyl)sulonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
3-aminopropyl N-acetyl-6-O-sulfo-beta-D-glucosaminide
6-[3-(3,4-Dihydroxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(2-Carboxyethyl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2,4-Dihydroxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2,3-Dihydro-2-(3,4-dihydroxyphenyl)-3-carboxy-1,4-benzodioxin-6-acrylic acid
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] propanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] butanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] butanoate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate
35_Dihydroxy_phenyl_propanoic_acid_3OBD_Glucuronide
[2-Acetyl-4-(1,2-dihydroxypropyl)phenyl] 1,3-benzodioxole-5-carboxylate
4-(1H-indol-3-ylmethyl)-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione
1-(4-Chlorophenyl)-4-oxo-5-propoxy-cinnoline-3-carboxylic acid
(2S-3S)-versiconal hemiacetal
An optically active form of versiconal hemiacetal having 2S,3S-configuration.
n~3~-[2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide
2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6-dimethoxychromen-4-one
5-Hydroxy-7,2,4,5-tetramethoxyflavone
A monohydroxyflavone that is flavone with a hydroxy substituent at position 5 and methoxy groups at positions 7, 2, 4 and 5. Isolated from Calliandra californica, it exhibits antibacterial activity.
D-Pantetheine 4-phosphate
Pantetheine 4-phosphate with D (R) configuration at the 2 position.
4,6-dimethoxy-3-[5-methoxy-4-oxo-6-(prop-1-en-1-yl)pyran-3-yl]-3h-2-benzofuran-1-one
(6r,7r)-7-[(5-carboxy-1,5-dihydroxypentylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(3r)-4,6-dimethoxy-3-{5-methoxy-4-oxo-6-[(1e)-prop-1-en-1-yl]pyran-3-yl}-3h-2-benzofuran-1-one
5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
6-(acetyloxy)-8-hydroxy-2-methoxy-9-oxoxanthen-3-yl acetate
(2r)-4,8,9-trihydroxy-11-methoxy-2,3,3-trimethyl-2h-furo[3,2-b]xanthen-5-one
7-acetyl-3,8-bis(acetyloxy)-6-methylnaphthalen-1-yl acetate
15,16,17-trimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaene
5-hydroxy-7-methoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
(2e)-3-[(2s,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enoic acid
8-hydroxy-7-{[(2r,3r)-3-methyl-3-{[(2r)-4-methylidene-5-oxooxolan-2-yl]methyl}oxiran-2-yl]methoxy}chromen-2-one
3,11-dimethoxy-12-(methoxycarbonyl)-5,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-6-carboxylic acid
7-{[(2r,3s)-3-{[(2s)-4-(hydroxymethyl)-5-oxo-2h-furan-2-yl]methyl}-3-methyloxiran-2-yl]methoxy}chromen-2-one
(6ar,12as)-4,11,12a-trihydroxy-9-methoxy-8,10-dimethyl-6,6a-dihydro-5,7-dioxatetraphen-12-one
5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-8-methylchromen-4-one
4,8,9-trihydroxy-11-methoxy-2,3,3-trimethyl-2h-furo[3,2-b]xanthen-5-one
2-(2h-1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-2,3-dihydro-1-benzopyran-4-one
8-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
7,10-dihydroxy-4,5-dimethoxy-8-methyl-2h-anthra[1,2-d][1,3]dioxole-6,11-dione
(5r)-5-[(2r)-2-hydroxy-2-[(2s)-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-2-yl]propyl]-3-methylideneoxolan-2-one
5-hydroxy-3,7,8-trimethoxy-2-(2-methoxyphenyl)chromen-4-one
4-(3,4-dimethoxyphenyl)-8-hydroxy-5,7-dimethoxychromen-2-one
8-hydroxy-1,2,3,5-tetramethoxy-6-methylanthracene-9,10-dione
2-(2-formyl-3,4,5-trihydroxy-6-methylphenyl)-6,7-dihydroxy-5-methyl-1-benzofuran-4-carbaldehyde
1,3,6,8-tetrahydroxy-2-(1-hydroxy-3-oxobutyl)anthracene-9,10-dione
(5s)-5-[(2r)-2-hydroxy-2-[(2r)-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-2-yl]propyl]-3-methyl-5h-furan-2-one
5-hydroxy-3,6,7-trimethoxy-2-(3-methoxyphenyl)chromen-4-one
5,13,17-trihydroxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-9,15-dione
6-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁵,¹⁰]tetradecane-7,13-dione
2,5,7-trihydroxy-6,8-dimethyl-3-(3',4'-methyl-enedioxybenzyl)-chroman-4-one
{"Ingredient_id": "HBIN004590","Ingredient_name": "2,5,7-trihydroxy-6,8-dimethyl-3-(3',4'-methyl-enedioxybenzyl)-chroman-4-one","Alias": "NA","Ingredient_formula": "C19H18O7","Ingredient_Smile": "CC1=C(C(=C2C(=C1O)C(=O)C(C(O2)O)CC3=C4C=C(C=C3)OCO4)C)O","Ingredient_weight": "358.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21706","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129716134","DrugBank_id": "NA"}
3'-hydroxy-5,7,8,4'-tetramethoxyflavone
{"Ingredient_id": "HBIN008679","Ingredient_name": "3'-hydroxy-5,7,8,4'-tetramethoxyflavone","Alias": "NA","Ingredient_formula": "C19H18O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10748","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(2-carboxyethenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid,9ci; (7's,7e,8's)-form
{"Ingredient_id": "HBIN009874","Ingredient_name": "4-(2-carboxyethenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid,9ci; (7's,7e,8's)-form","Alias": "NA","Ingredient_formula": "C18H14O8","Ingredient_Smile": "NA","Ingredient_weight": "358.3","OB_score": "NA","CAS_id": "145554-86-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7968","PubChem_id": "NA","DrugBank_id": "NA"}
5,3'-dihydroxy-4'-methoxy-7-methoxycarbonyl-flavonol
{"Ingredient_id": "HBIN011019","Ingredient_name": "5,3'-dihydroxy-4'-methoxy-7-methoxycarbonyl-flavonol","Alias": "NA","Ingredient_formula": "C18H14O8","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3O)C(=O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-3′,4′,6,7-tetramethoxyflavone
{"Ingredient_id": "HBIN011601","Ingredient_name": "5-hydroxy-3\u2032,4\u2032,6,7-tetramethoxyflavone","Alias": "NA","Ingredient_formula": "C19H18O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40727","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-7,2',4',5'-tetramethoxyisoflavone
{"Ingredient_id": "HBIN012405","Ingredient_name": "6-hydroxy-7,2',4',5'-tetramethoxyisoflavone","Alias": "NA","Ingredient_formula": "C19H18O7","Ingredient_Smile": "COC1=CC(=C(C=C1C2=COC3=CC(=C(C=C3C2=O)O)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10752","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-4',5,6,8-tetramethoxyfoavone
{"Ingredient_id": "HBIN013231","Ingredient_name": "7-hydroxy-4',5,6,8-tetramethoxyfoavone","Alias": "NA","Ingredient_formula": "C19H18O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31277","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
actaealactone
{"Ingredient_id": "HBIN014625","Ingredient_name": "actaealactone ","Alias": "NA","Ingredient_formula": "C18H14O8","Ingredient_Smile": "C1C(C(=CC2=CC(=C(C=C2)O)O)C(=O)O1)(C(=O)C3=CC(=C(C=C3)O)O)O","Ingredient_weight": "358.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20975","PubChem_id": "11537736","DrugBank_id": "NA"}
anticancer flavonoid pmv70p 691-114
{"Ingredient_id": "HBIN016336","Ingredient_name": "anticancer flavonoid pmv70p 691-114","Alias": "NA","Ingredient_formula": "C19H18O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1411","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
belamcadin
{"Ingredient_id": "HBIN017708","Ingredient_name": "belamcadin","Alias": "NA","Ingredient_formula": "C19H18O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23938","TCMSP_id": "NA","TCM_ID_id": "6406","PubChem_id": "NA","DrugBank_id": "NA"}
