Exact Mass: 492.1283
Exact Mass Matches: 492.1283
Found 500 metabolites which its exact mass value is equals to given mass value 492.1283
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Triflusulfuron-methyl
Aurantio-obtusin beta-D-glucoside
Aurantio-obtusin β-D-glucoside (Glucoaurantio-obtusin), isolated from Cassiae Semen (seeds of Cassia tora), is a glucoside of aurantio-obtusin[1].
Tricin 7-glucoside
Isolated from rice leaves (Oryza sativa). Tricin 7-glucoside is found in many foods, some of which are oat, rice, wheat, and cereals and cereal products. Tricin 7-glucoside is found in barley. Tricin 7-glucoside is isolated from rice leaves (Oryza sativa
3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside
3,4,5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside is found in cereals and cereal products. 3,4,5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside is isolated from maize (Zea mays) whorl tissue. Isolated from maize (Zea mays) whorl tissue. 3,7-Dimethylquercetin 5-glucoside is found in cereals and cereal products and corn.
3',7-Dimethoxy-4',5,8-trihydroxyflavone 8-glucoside
3,7-Dimethoxy-4,5,8-trihydroxyflavone 8-glucoside is found in green vegetables. 3,7-Dimethoxy-4,5,8-trihydroxyflavone 8-glucoside is a constituent of sugar cane syrup. Constituent of sugar cane syrup. 3,7-Dimethoxy-4,5,8-trihydroxyflavone 8-glucoside is found in green vegetables.
3',8-Dimethoxyapigenin 7-glucoside
3,8-Dimethoxyapigenin 7-glucoside is found in cereals and cereal products. 3,8-Dimethoxyapigenin 7-glucoside is isolated from Italian millet (Setaria italica) leaves. Isolated from Italian millet (Setaria italica) leaves. 3,8-Dimethoxyapigenin 7-glucoside is found in cereals and cereal products.
Limocitrin 3-rhamnoside
Limocitrin 3-rhamnoside is found in citrus. Limocitrin 3-rhamnoside is isolated from Citrus species fruit peels. Isolated from Citrus subspecies fruit peels. Limocitrin 3-rhamnoside is found in citrus.
Licoagroside A
Licoagroside A is found in herbs and spices. Licoagroside A is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagroside A is found in tea and herbs and spices.
Americanin B
Americanin B is found in fruits. Americanin B is a constituent of the seeds of Phytolacca americana (pokeberry). Constituent of the seeds of Phytolacca americana (pokeberry). Americanin B is found in fruits.
Pregnenolone-3,21-disulfate
Picroside I
Tricin 5-glucoside
Tricin 5-glucoside is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Tricin 5-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tricin 5-glucoside can be found in rice, which makes tricin 5-glucoside a potential biomarker for the consumption of this food product.
Salvianolic acid C
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Glucoaurantio-obtusin
Aurantio-obtusin beta-D-glucoside is a dihydroxyanthraquinone and a beta-D-glucoside. It is functionally related to an aurantio-obtusin. Aurantio-obtusin beta-D-glucoside is a natural product found in Senna obtusifolia and Senna tora with data available. Aurantio-obtusin β-D-glucoside (Glucoaurantio-obtusin), isolated from Cassiae Semen (seeds of Cassia tora), is a glucoside of aurantio-obtusin[1].
PicrosideI
Picroside I is a natural product found in Gentiana kurroo and Picrorhiza kurrooa with data available. Picroside I is the major ingredient of Picrorhiza scrophulariiflora. Picrorhiza scrophulariiflora is a high value medicinal herb due to rich source of hepatoprotective metabolites, Picroside-I and Picroside-II[1]. Picroside I is a promising agent for the management of asthma. Picroside I reduces the inflammation significantly at its higher dose. Picroside I also downregulates pSTAT6 and GATA3 expressions. Picroside I dose-dependently increases the serum levels of IFN-γ[2]. Picroside I is the major ingredient of Picrorhiza scrophulariiflora. Picrorhiza scrophulariiflora is a high value medicinal herb due to rich source of hepatoprotective metabolites, Picroside-I and Picroside-II[1]. Picroside I is a promising agent for the management of asthma. Picroside I reduces the inflammation significantly at its higher dose. Picroside I also downregulates pSTAT6 and GATA3 expressions. Picroside I dose-dependently increases the serum levels of IFN-γ[2].
Salvianolic
Salvianolic acid C is a member of benzofurans. Salvianolic acid C is a natural product found in Salvia miltiorrhiza, Origanum vulgare, and other organisms with data available. Salvianolic acid C is a noncompetitive Cytochrome P4502C8 (CYP2C8) inhibitor and a moderate mixed inhibitor of Cytochrome P45022J2 (CYP2J2), with Kis of 4.82 μM and 5.75 μM for CYP2C8 and CYP2J2, respectively. Salvianolic acid C is a noncompetitive Cytochrome P4502C8 (CYP2C8) inhibitor and a moderate mixed inhibitor of Cytochrome P45022J2 (CYP2J2), with Kis of 4.82 μM and 5.75 μM for CYP2C8 and CYP2J2, respectively.
Picroside
Picroside I is a natural product found in Gentiana kurroo and Picrorhiza kurrooa with data available. Picroside I is the major ingredient of Picrorhiza scrophulariiflora. Picrorhiza scrophulariiflora is a high value medicinal herb due to rich source of hepatoprotective metabolites, Picroside-I and Picroside-II[1]. Picroside I is a promising agent for the management of asthma. Picroside I reduces the inflammation significantly at its higher dose. Picroside I also downregulates pSTAT6 and GATA3 expressions. Picroside I dose-dependently increases the serum levels of IFN-γ[2]. Picroside I is the major ingredient of Picrorhiza scrophulariiflora. Picrorhiza scrophulariiflora is a high value medicinal herb due to rich source of hepatoprotective metabolites, Picroside-I and Picroside-II[1]. Picroside I is a promising agent for the management of asthma. Picroside I reduces the inflammation significantly at its higher dose. Picroside I also downregulates pSTAT6 and GATA3 expressions. Picroside I dose-dependently increases the serum levels of IFN-γ[2].
Aurantio-obtusin
Aurantio-obtusin beta-D-glucoside is a dihydroxyanthraquinone and a beta-D-glucoside. It is functionally related to an aurantio-obtusin. Aurantio-obtusin beta-D-glucoside is a natural product found in Senna obtusifolia and Senna tora with data available. Aurantio-obtusin β-D-glucoside (Glucoaurantio-obtusin), isolated from Cassiae Semen (seeds of Cassia tora), is a glucoside of aurantio-obtusin[1].
Iristectorin A
Iristectorin A, a natural product from Iris tectorum, has anti-cancer activities in breast cancer[1]. Iristectorin A, a natural product from Iris tectorum, has anti-cancer activities in breast cancer[1].
Eupatolin
Eupatolin is a member of flavonoids and a glycoside. Eupatolin is a natural product found in Achillea santolina, Brickellia secundiflora, and other organisms with data available.
Salvianolic acid C
Salvianolic acid C is a noncompetitive Cytochrome P4502C8 (CYP2C8) inhibitor and a moderate mixed inhibitor of Cytochrome P45022J2 (CYP2J2), with Kis of 4.82 μM and 5.75 μM for CYP2C8 and CYP2J2, respectively. Salvianolic acid C is a noncompetitive Cytochrome P4502C8 (CYP2C8) inhibitor and a moderate mixed inhibitor of Cytochrome P45022J2 (CYP2J2), with Kis of 4.82 μM and 5.75 μM for CYP2C8 and CYP2J2, respectively.
Isopyrenin
Yixingensin
Caryatin 7-glucoside
9beta-Acetoxy-3-chloro-8beta-(5-acetoxy-tiglinoyloxy)-dehydroleucodin
Quercetin 3,4-dimethyl ether 7-glucoside
Isosalvianolic acid C
isosalvianolic acid C is a natural product found in Salvia cavaleriei, Salvia chinensis, and Salvia prionitis with data available.
6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside
Iristectorin B
Iristectorin B is an isoflavone from Iris tectorum, has anti-cancer activities in breast cancer[1]. Iristectorin B is an isoflavone from Iris tectorum, has anti-cancer activities in breast cancer[1].
Myricetin 3,4-dimethyl ether 3-rhamnoside
Isothymusin 8-glucoside
4,2-Dihydroxy-3,4,6-trimethoxychalcone 4-glucoside
5,2,6-Trihydroxy-6,7-dimethoxyflavone 2-glucoside
Hypolaetin 7,3-dimethyl eter 4-glucoside
Quercetin 3,7-dimethyl ether 5-glucoside
(5E)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]cyclopentene-1-carboxylic acid
2-Naphthalenecarboxylic acid, 4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-, 1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester
4,7-dihydroxy-3,5-dimethoxyflavonol 7-O-beta-D-galactopyranoside
alpha-O-[2-O-(3-methoxy-4-hydroxycinnamoyl)-beta-D-glucopyranosyl]-3,4-dihydroxyphenylethanol|monnieraside II
2,4,6-trihydroxyacetophenone 2,4-di-O-beta;-D-glucopyranoside|2,4,6-trihydroxyacetophenone 2,4-di-O-Glc|2,4,6-Trihydroxyacetophenone-2,4-di-O-??-D-glucopyranoside|2,4-Bis-(beta-D-glucosyl)-phloracetophenon|6-hydroxy-2,4-di-O-(beta-D-glucopyranosyl) acetophenone
1-(3,4-dihydroxy-benzoyl)-3beta,4alpha,6,7-tetrahydroxy-benzo[9,10]-1-cyclohexene-3-O-beta-D-pyranosylglucoside|crassifoside C
hedycoryside A|methyl (1S,4aS,7aS)-7-[(benzoyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
1,2,3,4-tetrahydro-7-hydroxy-4-oxonaphthalen-1-yl 6-O-[(3,4,5-trihydroxyphenyl)carbonyl]-beta-D-glucopyranoside
(R)-3-(2,3-dihydro-2-oxo-5-oxepinyl)-4,4,5-trihydroxyspiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-12,2(5H)-furan]-11,5-dione|retipolide D
5,7,8,4-tetrahydroxy-3-methoxy-6-methylflavone 8-O-beta-D-glucopyranoside|5,7,8,4-tetrahydroxy-3-methoxy-6-methylflavonol-8-O-beta-D-glucopyranoside
2-acetyl asebotin|2,4,6-trihydroxy-4-methoxydihydrochalcone 2-O-beta-D-glucopyranoside 2-acetate|asebotin 2-acetate
beta-D-fructofuranosyl-alpha-D-(6-vanilloyl)-glucopyranoside
4-O-(4-hydroxy-3-methoxycinnamoyl)-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside
5,7-dihydroxy-2-methoxy-3,4-methylenedioxy-isoflavanone 7-O-beta-glucopyranoside
3,4-dihydroxy-7,3-dimethoxyflavonol-5-O-beta-D-glucopyranoside|irisdichotin A
(2R,3R)-2-acetylastilbin|(2R,3R)-5,7,3,4-tetrahydroxyflavanonol 2-acetylrhamnoside
(2R,3R)-3-acetylastilbin|(2R,3R)-5,7,3,4-tetrahydroxyflavanonol 3-acetylrhamnoside
(2R,3S)-4-acetylisoastilbin|(2R,3S)-5,7,3,4-tetrahydroxyflavanonol 4-acetylrhamnoside
6-O-beta-apiofuranosyl-[5-O-(3,4-dimethoxybenzoyl)oxy]-alpha/beta-glucopyranoside
5,4-dihydroxy-7,3-dimethoxyflavone 3-O-β-D-glucopyranoside
4-(4?-beta-glucopyranosyloxybenzyl)-(R)-2-benzylmalate|grammatophylloside A
11-O-(3,4-dimethoxybenzoyl)bergenin|11-O-(3?,4?-dimethoxybenzoyl)bergenin|11-O-veratroylbergenin
(2R,3R)-3,5,7,4-tetrahydroxyflavanone 7-(2-O-acetyl-beta-D-galactopyranoside)|aromadendrin 7-(2-O-acetyl-beta-D-galactopyranoside)
4-[(6-O-(E)-caffeoyl)-beta-D-glucopyranosyl]vanillic acid
10-demethylboeravinone C 11-O-beta-D-glucopyranoside|boeravinone N
6-O-(4-hydroxy-3-methoxybenzoyl)-alpha,alpha-trehalose|simalin A
desmethylyangonin-4-O-(6-O-malonyl)-beta-D-glucopyranoside
7,4-O-dimethylmyricetin 3-O-alpha-L-rhamnopyranoside|7-O-methylmearnsitrin
2,4,6-trihydroxyacetophenone-3,5-di-C-glucoside|3, 5-Diglucosyl-2, 4, 6-trihydroxyacetophenone|3,5-di-C-beta-D-glucopyranosylphloroacetophenone|di-C-beta-D-glucopyranosylphloroacetophenone
3,4-Di-Me ether,7-O-beta-D-glucuronoside-3,4,5,5,7-Pentahydroxyflavone
(1R,5RS)-7,8-dihydro-4,5,5-trihydroxyspiro{cyclopenta[d]furo[3,4-b]pyran-1,12(5H)-[2,10]dioxatricyclo[12.2.2.13,7]nonadeca[1(16),3,5,7(19),14,17]hexaene}-3,6,11-trione|retipolide B
4,5-dihydroxy-2,3-dimethoxy-7-(5-hydroxyoxychromen-7yl)-isoflavanone
Myrciacitrin II
A flavanone glycoside that is (2S)-flavanone substituted by methyl groups at positions 6 and 8, hydroxy groups at positions 5 and 2, a methoxy group at position 5 and a beta-D-glucopyranosyloxy residue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against alpha-glucosidase and aldose reductase.
(1S)-1,2,3,4-tetrahydro-8-hydroxy-4-oxonaphthalen-1-yl 6-O-[(3,4,5-trihydroxyphenyl)carbonyl]-beta-D-glucopyranoside
Eriodictyl 7-O-??-D-(6-ethyl ester)-glucuronopyranoside
9-O-deacetylbisdethiobis(methylthio)acetylaranotin|alternarosin A
(S)-(-)-5,7,3,5-tetrahydroxyflavanone 7-O-(ethyl beta-D-glucopyranosiduronate)|garccowaside A
6-O-(4-hydroxy-3-methoxycinnamoyl)-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside|Osmanthuside E
Salvianolicacid C
Salvianolic acid C is a member of benzofurans. Salvianolic acid C is a natural product found in Salvia miltiorrhiza, Origanum vulgare, and other organisms with data available. Salvianolic acid C is a noncompetitive Cytochrome P4502C8 (CYP2C8) inhibitor and a moderate mixed inhibitor of Cytochrome P45022J2 (CYP2J2), with Kis of 4.82 μM and 5.75 μM for CYP2C8 and CYP2J2, respectively. Salvianolic acid C is a noncompetitive Cytochrome P4502C8 (CYP2C8) inhibitor and a moderate mixed inhibitor of Cytochrome P45022J2 (CYP2J2), with Kis of 4.82 μM and 5.75 μM for CYP2C8 and CYP2J2, respectively.
IristectorinB
Iristectorin B is a natural product found in Iris domestica with data available. Iristectorin B is an isoflavone from Iris tectorum, has anti-cancer activities in breast cancer[1]. Iristectorin B is an isoflavone from Iris tectorum, has anti-cancer activities in breast cancer[1].
IristectorinA
Iristectorin A is a natural product found in Iris germanica, Iris domestica, and other organisms with data available. Iristectorin A, a natural product from Iris tectorum, has anti-cancer activities in breast cancer[1]. Iristectorin A, a natural product from Iris tectorum, has anti-cancer activities in breast cancer[1].
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
C24H28O11_(5E)-5-[2-(beta-D-Glucopyranosyloxy)ethylidene]-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-2-methyl-1-cyclopentene-1-carboxylic acid
C24H28O11_2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-7-yl]methyl ester, (2E)
C20H28O14_alpha-D-Glucopyranoside, beta-L-fructofuranosyl, 6-(4-hydroxy-3-methoxybenzoate)
C24H28O11_[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-phenylacrylate
[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-1a-yl]methyl (E)-3-phenylprop-2-enoate
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000846731]
5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one [IIN-based: Match]
Cys Cys His Met
Cys Cys Met His
Cys Asp Gln Gln
Cys Glu Asn Gln
Cys Glu Gln Asn
Cys His Cys Met
Cys His Met Cys
Cys Met Cys His
Cys Met His Cys
Cys Asn Glu Gln
Cys Asn Gln Glu
Cys Gln Asp Gln
Cys Gln Glu Asn
Cys Gln Asn Glu
Cys Gln Gln Asp
Asp Asp Asp Glu
Asp Asp Glu Asp
Asp Glu Asp Asp
Glu Asp Asp Asp
His Cys Cys Met
His Cys Met Cys
His Met Cys Cys
Met Cys Cys His
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Met His Cys Cys
Licoagroside A
Americanin B
3',8-Dimethoxyapigenin 7-glucoside
3',7-Dimethoxy-4',5,8-trihydroxyflavone 8-glucoside
4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl ?-D-glucopyranoside
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione,benzene-1,3-dicarboxylic acid,furan-2,5-dione,propane-1,2-diol
2-amino-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
sodium,formaldehyde,6-hydroxynaphthalene-2-sulfonic acid,3-methylphenol,4-methylphenolate
3-(beta-D-Galactopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
N-(5-methyl-3-isoxazolyl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
4-[ethyl-(phenylmethyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
4-[2-[[2-[[4-(1,3-Benzodioxol-5-yl)-2-thiazolyl]amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
7-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-3-yl 6-deoxy-beta-D-gulopyranoside
malvidin 3-O-beta-D-glucoside betaine
An oxonium betaine obtained by deprotonation of the hydroxy group at the 5 position of malvidin 3-O-beta-D-glucoside. It is the major microspecies at pH 7.3.
[3,4,5-trihydroxy-6-[[5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
4-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-(3-methoxy-2-pyrazinyl)benzenesulfonamide
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide
N-(1,3-benzodioxol-5-yl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-pyrazinecarboxamide
3,6-Diamino-10-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}acridinium perchlorate
N-{2-[2-(3-chlorobenzylidene)hydrazino]-2-oxoethyl}-4-methyl-N-(8-quinolinyl)benzenesulfonamide
{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
2-[(2S,4aR,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2R,4aR,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
methyl 2-[(2S,4aR,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate
2-[(2S,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2R,4aR,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2S,4aS,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine(1-)
A peptide anion that is the conjugate base of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine and major species at pH 7.3.
2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-one
Tricin 7-O-glucoside
A glycosyloxyflavone that is tricin attached to a D-glucopyranosyl residue at position 7 via a glycosidic linkage.
tricin 5-O-beta-D-glucoside
A glycosyloxyflavone that is 3,5-di-O-methyltricetin (tricin) in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucopyranosyl group.
tricin 7-O-beta-D-glucoside
A glycosyloxyflavone that is 3,5-di-O-methyltricetin (tricin) in which the phenolic hydrogen at position 7 has been replaced by a beta-D-glucopyranosyl group.
21-hydroxypregnenolone disulfate
A steroid sulfate that is 21-hydroxypregnenolone in which both hydroxy hydrogens have been replaced by sulfo groups.
[(2r,3s,4s,5r,6r)-6-{[(1s,2r,4s,5r,6s,10s)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-phenylprop-2-enoate
(2s)-5,7-dimethoxy-2-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one
5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(1r,3r,4s,5r)-1,3-dihydroxy-4,5-bis(4-hydroxy-3-methoxybenzoyloxy)cyclohexane-1-carboxylic acid
3,5-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5-hydroxy-2-(2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7,8-dimethoxychromen-4-one
2-{[4-(3,4-dihydroxybenzoyl)-1,6,7-trihydroxy-1,2-dihydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2,4-dihydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylic acid
2-(3,5-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxychromen-4-one
(3r,5r)-1,4-dihydroxy-3,5-bis(4-hydroxy-3-methoxybenzoyloxy)cyclohexane-1-carboxylic acid
[(6s)-3,4,5-trihydroxy-6-{[(1s,2s,6r)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxan-2-yl]methyl 3-phenylprop-2-enoate
4,4',7'-trimethoxy-[1,1'-biphenanthrene]-2,2',7-triol
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one
3-(3,4-dihydroxyphenyl)-2-{[(2e)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxy}propanoic acid
[(1s,4ar,5s,7as)-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(1s)-7-hydroxy-4-oxo-2,3-dihydro-1h-naphthalen-1-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5-hydroxy-7-{[5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}chromen-4-one
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
5-hydroxy-2-(2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6,7-dimethoxychromen-4-one
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2-(3,4-dihydroxyphenyl)-3,5-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(5e)-4-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2-methyl-5-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)cyclopent-1-ene-1-carboxylic acid
5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5-hydroxy-2-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7,8-dimethoxychromen-4-one
(2e)-3-[(2s,3s)-3-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
2-(3,5-dimethoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxychromen-4-one
[(3r,4s,5s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
10-o-trans-coumaroyl-eranthemoside
{"Ingredient_id": "HBIN000187","Ingredient_name": "10-o-trans-coumaroyl-eranthemoside","Alias": "NA","Ingredient_formula": "C24H28O11","Ingredient_Smile": "C1=CC(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)(COC(=O)C=CC4=CC=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4154","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1r,2r)-form,1-me ether,2-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001642","Ingredient_name": "1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1r,2r)-form,1-me ether,2-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C24H28O11","Ingredient_Smile": "NA","Ingredient_weight": "492.47","OB_score": "NA","CAS_id": "186202-13-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9511","PubChem_id": "NA","DrugBank_id": "NA"}
1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1s,2r)-form,1-me ether,2-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001644","Ingredient_name": "1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1s,2r)-form,1-me ether,2-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C24H28O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9509","PubChem_id": "NA","DrugBank_id": "NA"}
3',4'-dimethoxy-5,7,5'-trihydroxyl-flavone 3-o-α-l-rhamnopyranoside
{"Ingredient_id": "HBIN007428","Ingredient_name": "3',4'-dimethoxy-5,7,5'-trihydroxyl-flavone 3-o-\u03b1-l-rhamnopyranoside","Alias": "NA","Ingredient_formula": "C23H24O12","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)OC)OC)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6295","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-7-o-methyleucomol 5-o-β-d-glucopyrano-side
{"Ingredient_id": "HBIN013404","Ingredient_name": "(?)-7-o-methyleucomol 5-o-\u03b2-d-glucopyrano-side","Alias": "NA","Ingredient_formula": "C24H28O11","Ingredient_Smile": "COC1=CC=C(C=C1)CC2(COC3=CC(=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14430","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bacopaside b
{"Ingredient_id": "HBIN017493","Ingredient_name": "bacopaside b","Alias": "NA","Ingredient_formula": "C24H28O11","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)CO)O)O)O","Ingredient_weight": "492.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2085","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11113741","DrugBank_id": "NA"}