Exact Mass: 490.1295
Exact Mass Matches: 490.1295
Found 467 metabolites which its exact mass value is equals to given mass value 490.1295
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
L-2-Aminoadipate adenylate
L-2-Aminoadipate adenylate is an intermediate in Lysine biosynthesis. L-2-Aminoadipate adenylate is the 4th to last step in the synthesis of L-Lysine and is converted from L-2-Aminoadipate via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). It is then converted to alpha-Aminoadipoyl-S-acyl enzyme via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). [HMDB] L-2-Aminoadipate adenylate is an intermediate in Lysine biosynthesis. L-2-Aminoadipate adenylate is the 4th to last step in the synthesis of L-Lysine and is converted from L-2-Aminoadipate via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). It is then converted to alpha-Aminoadipoyl-S-acyl enzyme via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31).
BMS-268770
Kaempferol 3-(6-acetylgalactoside)
Kaempferol 3-(6-acetylgalactoside) is found in green vegetables. Kaempferol 3-(6-acetylgalactoside) is a constituent of the flowers of Trifolium repens (white clover) Constituent of the flowers of Trifolium repens (white clover). Kaempferol 3-(6-acetylgalactoside) is found in tea, herbs and spices, and green vegetables.
Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]
Phloroacetophenone 6-[xylosyl-(1->6)-glucoside] is found in fats and oils. Phloroacetophenone 6-[xylosyl-(1->6)-glucoside] is a constituent of Sapium sebiferum (Chinese tallowtree). Constituent of Sapium sebiferum (Chinese tallowtree). Phloroacetophenone 6-[xylosyl-(1->6)-glucoside] is found in fats and oils.
2'-O-Acetylisoorientin
2-O-Acetylisoorientin is found in green vegetables. 2-O-Acetylisoorientin is isolated from sorrel leaves (Rumex acetosa). Isolated from sorrel leaves (Rumex acetosa). 2-Acetylisoorientin is found in green vegetables and sorrel.
Edulisin I
Edulisin I is found in green vegetables. Edulisin I is a constituent of Angelica edulis
Irisolidone 7-O-glucuronide
Irisolidone 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
4',5,6-Trimethylscutellarein 7-glucoside
4,5,6-Trimethylscutellarein 7-glucoside is found in fruits. 4,5,6-Trimethylscutellarein 7-glucoside is a constituent of Juniperus communis (juniper). Constituent of Juniperus communis (juniper). 4,5,6-Trimethylscutellarein 7-glucoside is found in fruits.
Lignosulfonic acid
D001697 - Biomedical and Dental Materials
Apogossypolone
Tesevatinib
Quercetin 3-O-acetyl-rhamnoside
Quercetin 3-o-acetyl-rhamnoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Quercetin 3-o-acetyl-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 3-o-acetyl-rhamnoside can be found in common grape, highbush blueberry, rubus (blackberry, raspberry), and summer grape, which makes quercetin 3-o-acetyl-rhamnoside a potential biomarker for the consumption of these food products.
Kaempferol 3-O-acetyl-glucoside
Kaempferol 3-o-acetyl-glucoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-o-acetyl-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-acetyl-glucoside can be found in common bean, green bean, and yellow wax bean, which makes kaempferol 3-o-acetyl-glucoside a potential biomarker for the consumption of these food products.
2'-Acetylorientin
2-acetylorientin is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. 2-acetylorientin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-acetylorientin can be found in sorrel, which makes 2-acetylorientin a potential biomarker for the consumption of this food product.
Irifloside
Orientin 2-acetate
7-Hydroxy-2,4,5-trimethoxyisoflavone 7-O-glucoside
Orientin 6-acetate
Quercitryl-2 acetate
Viviparum B
Hispidulin 7-methylglucuronide
LETHEDOSIDE A
Scutellarein 6,7-dimethyl ether 4-glucuronide
3,4,7-Tri-O-methylisoorientin
6,7-Dihydroxy-3-methoxy-4,5-methylenedioxyisoflavone 6-O-glucoside
6-O-Acetylastragalin
Isoorientin 2-acetate
Dalspinin 7-O-galactoside
3,4,5,7-Tetra-Me ether,3-O-L-arabinoside-3,3,4,5,7-Pentahydroxyflavone
2,3,4,5-Tetrahydroxyhexyl glycoside-beta-D-Pyranose-6-O-(3,4-Dihydroxycinnamoyl)glucose
(2RS)-2-(4-O-beta-D-glucopyranosylphenyl) propionyl beta-D-glucopyranoside
6-hydroxykaempferol-7-O-(6-O-acetyl-beta-glucopyranoside)
5,7-dihydroxy-8,4-dimethoxyflavone 7-O-beta-D-glucoronide
5-hydroxy-6-methyl-7,4-dimethoxyflavone-8-O-beta-D-glucopyranoside
5,6,7,4-tetrahydroxyflavone-7-O-(6-O-acetyl)-beta-D-glucopyranoside
3,5,7,8-tetrahydroxy-4-methoxyflavone 8-O-beta-D-glucopyranosiduronic acid methyl ester
<3-(1-beta-D-glucosyloxy)-2-hydroxy>benzoyl 3-(3-phthalidyl)-propyl ester|[3-(1-beta-D-glucosyloxy)-2-hydroxy]benzoyl 3-(3-phthalidyl)-propyl ester
2-(3,4-methylenedioxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
3-methoxybenzoic acid methyl ester 4-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-allopyranoside|keteleeroside A
3-hydroxybenzoic acid methyl ester 4-O-(3-O-methyl-alpha-L-rhamnopyranosyl)-(1->2)-beta-D-allopyranoside|keteleeroside B
1,3,6-trihydroxy-2-hydroxymethyl-9,10-anthraquinone-3-O-(6-beta-O-acetyl)-D-glucopyranoside
1-kestose|beta-D-Fruf-(2->1)-beta-D-Fruf-(2<->1)-alpha-D-Glcp
(-)-(E)-3,5-dimethoxyphenylpropenoic acid 4-O-beta-D-(6-O-benzoyl)glucopyranoside
3-formyl-6,4-dihydroxy-2-methoxy-5-methylchalcone 4-O-beta-D-glucopyranoside
2,6-dihydroxy-4-methoxy-acetophenone 2-O-beta-rutinoside
5-O-(6-acetyl-beta-D-glucopyranosyl)-7,3,4-trihydroxy-4-phenylcoumarin|5-O-(6?-acetyl-beta-D-glucopyranosyl)-7,3?,4?-trihydroxy-4-phenylcoumarin
O4(?)-[4-((5S)-5-carboxy-beta-D-xylopyranosyloxy)-benzoyl]-D-glucuronic acid|O4(?)-[4-((5S)-5-Carboxy-beta-D-xylopyranosyloxy)-benzoyl]-D-glucuronsaeure
(1R,4aS,9aR,E)-3-(3,5-dihydroxystyryl)-6,8,9a-trihydroxy-1-(3,4,5-trihydroxyphenyl)-1,4,4a,9a-tetrahydrofluoren-9-one|syagrusin A
1,4,8-trihydroxynaphthalene 1-O-beta-D-[6-O-(3,4,5-trihydroxybenzoyl)]glucopyranoside
everninic acid methyl ester 2-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|Everninic acid methyl ester 2-O-??-xylopyranosyl-(1鈥樏傗垎6)-??-glucopyranoside
3,4,6-TRIMETHOXYISOFLAVONE-7-O-EC-D-GLUCOPYRANOSIDE
2,4-dihydroxy-6-methoxy-3-methylacetophenone 4-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside
7-hydroxy-5-methoxy-3,4-methylenedioxyflavonol 7-O-beta-D-glucopyranoside
diosmentin-7-O-beta-D-glucuronopyranoside methyl ester|diosmetin 7-O-beta-D-glucuronide methyl ester
6,7-dihydroxy-3-methoxy-4,5-methylenedioxyisoflavone-6-O-beta-D-glucopyranoside
(R)-6-hydroxymellein 6-O-beta-D-[6-O-(4-methoxybenzoyl)]->6)glucopyranoside
nhatrangin B
D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
Asp Gln Asn Asp
5,6,7-Trihydroxyflavone-7-O-β-D-glucuronopyranoside
6-O-β-Apiofuranosylsweroside
6-O-beta-D-Apiofuranosylsweroside is a natural product found in Lonicera quinquelocularis with data available.
Tectoruside
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
C21H30O13_(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C21H30O13_(1S,4aS,7aR)-4a-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside
(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
(1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one
(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one_major
(1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one_major
Cys Cys Cys Tyr
Cys Cys Glu His
Cys Cys His Glu
Cys Cys Tyr Cys
Cys Glu Cys His
Cys Glu His Cys
Cys His Cys Glu
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Cys Met Thr His
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Asp Asp Asn Gln
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Glu Cys Cys His
Glu Cys His Cys
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Glu Asn Asp Asn
Glu Asn Asn Asp
Glu Pro Asp Met
Glu Pro Met Asp
His Cys Cys Glu
His Cys Glu Cys
His Cys Met Thr
His Cys Thr Met
His Glu Cys Cys
His Met Cys Thr
His Met Thr Cys
His Thr Cys Met
His Thr Met Cys
Met Cys His Thr
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Met Asp Glu Pro
Met Asp Pro Glu
Met Glu Asp Pro
Met Glu Pro Asp
Met His Cys Thr
Met His Thr Cys
Met Pro Asp Glu
Met Pro Glu Asp
Met Thr Cys His
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Asn Asp Asp Gln
Asn Asp Glu Asn
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Asn Asp Gln Asp
Asn Glu Asp Asn
Asn Glu Asn Asp
Asn Asn Asp Glu
Asn Asn Glu Asp
Asn Gln Asp Asp
Pro Asp Glu Met
Pro Asp Met Glu
Pro Glu Asp Met
Pro Glu Met Asp
Pro Met Asp Glu
Pro Met Glu Asp
Gln Asp Asp Asn
Gln Asp Asn Asp
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Thr Cys His Met
Thr Cys Met His
Thr His Cys Met
Thr His Met Cys
Thr Met Cys His
Thr Met His Cys
Tyr Cys Cys Cys
6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside
Edulisin I
Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]
Kaempferol 3-(6-acetylgalactoside)
Isoorientin 2''-acetate
4',5,6-Trimethylscutellarein 7-glucoside
Irisolidone 7-O-glucuronide
6-O--D-Apiofuranosylsweroside
2-Acetylastragalin
A kaempferol O-glucoside that is the 2-acetyl derivative of astragalin (kaempferol 3-O-glucoside). Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity.
2-benzofuran-1,3-dione,ethane-1,2-diol,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
Urea,N-[4-[(2-amino-4,7-dimethyl-6-benzothiazolyl)oxy]phenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-
triphenyl(3-phenylmethoxypropyl)phosphanium,bromide
Methyl 2,3-Di-O-benzoyl-4,6-O-benzylidene-α-D-glucopyranoside
BENZENESULFONAMIDE,-[2,4-DIFLUORO-3-[[5-(3-PYRIDINYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]CARBONYL]PHENYL]-
Poziotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
methyl 2,3-di-o-benzoyl-4,6-o-benzylidene-beta-d-glucopyranoside
XL-647
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D000970 - Antineoplastic Agents
N,O-BIS(4-METHOXYBENZYLOXYCARBONYL)-(S)-2-AMINO-3-(4-HYDROXYPHENYL)-PROPIONITRILE
Calcium Gluceptate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12A - Calcium > A12AA - Calcium C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
Benzeneacetamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-(((2-hydroxy-1-(hydroxymethyl)ethyl)amino)methyl)-
1,3,6-trihydroxy-2-hydroxymethyl-9,10-anthraquinone-3-O-(6-O-acetyl)-beta-D-glucopyranoside
A dihydroxyanthraquinone that is 9,10-anthraquinone substituted by hydroxy groups at positions 4 and 7, a hydroxymethyl group at position 3 and a 6-O-acetyl-beta-D-glucopyranosyloxy residue at position 2. It has been isolated from the roots of Rubia yunnanensis.
3-(4-Chlorophenyl)sulfonyl-2-imino-1-(2-phenylethyl)-5-dipyrido[1,2-d:3,4-f]pyrimidinone
N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide
(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
N-(1-Cyanocyclopropyl)-3-({[(2S)-5-oxopyrrolidin-2-YL]methyl}sulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide
3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
6-Bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester
N-[6-[(2,6-difluorophenyl)sulfonylamino]hexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
1-(4-Bromophenyl)-2-[3-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone
N-(3-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide
N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide
5-(Diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester
N-benzyl-4-[2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
4-chloro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(2-oxolanylmethyl)benzenesulfonamide
6-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester
2-[4-((1R,2R,6S,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-benzoylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
[(1S)-7-methoxy-9-methyl-2-methylsulfonyl-1-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
[(1R)-7-methoxy-9-methyl-2-methylsulfonyl-1-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
3,4,5-Trihydroxy-6-[[2-(3-hydroxyphenyl)-5-methoxy-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid
7-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
(2S,3S,4S,5R)-6-[(4-aminophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(2R,3S,4S)-5-(5-hydroperoxy-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
N-[4-[[4-(3-cyanobenzoyl)piperazin-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
4-Bromobenzoylmethyl (9Z,12Z)-15,16-epoxyoctadecadienoate
4-Bromobenzoylmethyl (12Z,15Z)-9,10-epoxyoctadecadienoate
4-Bromobenzoylmethyl (9Z,15Z)-12,13-epoxyoctadecadienoate
21-hydroxypregnenolone disulfate(2-)
A 21-hydroxypregnenolone disulfate anion obtained by deprotonation of both sulfate groups of 21-hydroxypregnenolone disulfate.
IDH-305
IDH-305 is an orally available, mutant-selective and brain-penetrant IDH1 inhibitor that targets IDH1 (R132) mutation. IDH-305 exhibits greater than 200 fold selectivity for mutant IDH1 isoforms vs. WT (IC50= 27 nM (IDH1R132H), 28 nM (IDH1R132C), 6.14 μM (IDH1WT))[1][2].
PGlu-3-methyl-His-Pro-NH2 (TFA)
PGlu-3-methyl-His-Pro-NH2 TFA (A-42872 TFA), the modified thyrotropin-releasing hormone (TRH) peptide, enhances binding to pituitary TRH receptors and increases stimulation of thyroid-stimulating hormone (TSH) release from the pituitary. The in vitro permeability of PGlu-3-methyl-His-Pro-NH2 TFA through rat skin is increased in the presence of enhancers Ethanol and Cineole[1][2].
(2s,3r,4r,5s,6s)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
(2r,10s,11r,20r)-7,15,24,26-tetrahydroxyoctacyclo[19.7.1.1²,¹⁰.0²,²⁰.0³,⁸.0¹¹,²⁰.0¹⁴,¹⁹.0²⁵,²⁹]triaconta-1(28),3,5,7,14,16,18,21(29),22,24,26-undecaene-9,13,30-trione
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-6-yl]oxy}oxan-2-yl]methyl 4-methoxybenzoate
7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1h,7ah-cyclopenta[c]pyran-5-one
3-(3,4-dimethoxyphenyl)-6-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(2,4,5-trimethoxyphenyl)chromen-4-one
4,11-dimethyl-18-(sec-butyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),16,19(22)-octaene-2,9,16-triol
(2s,3s,4r,7r)-7-(2-bromo-5-hydroxyphenyl)-3-{[(3s,4s)-3,4-dihydroxypentanoyl]oxy}-7-methoxy-2,4-dimethylheptanoic acid
(3r,4s,5s,6r)-6-{[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]methyl}-4,5-dihydroxyoxan-3-yl benzoate
methyl (2s,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
6-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-oxo-2h,3h-furo[3,2-c]pyran-3-yl]-4-hydroxypyran-2-one
(8'r,12r)-4-hydroxy-8'-methoxy-2,4',7',10-tetraoxaspiro[tricyclo[12.2.2.1³,⁷]nonadecane-12,3'-tricyclo[7.3.0.0²,⁶]dodecan]-1(16),1'(9'),2'(6'),3(19),4,6,14,17-octaene-5',10',11-trione
(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s)-2-(4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate
3-{4,5-dihydroxy-2-[(1e)-2-(4-hydroxy-6-oxopyran-2-yl)ethenyl]phenyl}-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one
(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid
(3r,4s,5s,6r)-6-{[(9r)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]methyl}-4,5-dihydroxyoxan-3-yl benzoate
6-[(3r)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3h,4h-naphtho[2,3-c]pyran-8-yl]-5-hydroxy-7-methoxy-2-methylnaphthalene-1,4-dione
(1r,4as,6s,7as)-1-[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-hydroxy-7-methylidene-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
7-hydroxy-2-(7-methoxy-2h-1,3-benzodioxol-5-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
[(2r,3s,4s,5r,6s)-6-{[4-(3,4-dihydroxyphenyl)-7-hydroxy-2-oxochromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
ethyl 6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
4-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxy-5-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde
(1s,4s,7s,8r,9r,10s,11r,14r)-8-(acetyloxy)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-12-en-11-yl acetate
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
2''-o-acetylquercitrin
{"Ingredient_id": "HBIN006179","Ingredient_name": "2''-o-acetylquercitrin","Alias": "NA","Ingredient_formula": "C23H22O12","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "491","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-β-apiofuranosylsweroside
{"Ingredient_id": "HBIN012636","Ingredient_name": "6'-o-\u03b2-apiofuranosylsweroside","Alias": "NA","Ingredient_formula": "C21H30O13","Ingredient_Smile": "C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1517","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetylbarlerin
{"Ingredient_id": "HBIN014453","Ingredient_name": "acetylbarlerin","Alias": "NA","Ingredient_formula": "C21H30O13","Ingredient_Smile": "CC(=O)OC1CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)(C)OC(=O)C","Ingredient_weight": "490.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "330","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6453480","DrugBank_id": "NA"}
bisindigotin
{"Ingredient_id": "HBIN018623","Ingredient_name": "bisindigotin","Alias": "NA","Ingredient_formula": "C32H18N4O2","Ingredient_Smile": "C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)C5=C6C=CC=CC6=NC5=C7C(=O)C8=CC=CC=C8N7","Ingredient_weight": "490.5 g/mol","OB_score": "41.65719277","CAS_id": "NA","SymMap_id": "SMIT12047","TCMID_id": "NA","TCMSP_id": "MOL011100","TCM_ID_id": "NA","PubChem_id": "136861641","DrugBank_id": "NA"}