Exact Mass: 474.1562
Exact Mass Matches: 474.1562
Found 500 metabolites which its exact mass value is equals to given mass value 474.1562
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose
Constituent in cell wall polysaccharide of immature barley plants. Isolated from the enzymatic hydrolysates of tamarind polysaccharide. alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose is found in cereals and cereal products and fruits. alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose is found in cereals and cereal products. Constituent in cell wall polysaccharide of immature barley plants. It is isolated from the enzymatic hydrolysates of tamarind polysaccharide.
D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose
D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose is found in fruits. D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose is isolated from the hydrolysate of the gum of Spondias dulcis (ambarella). Isolated from the hydrolysate of the gum of Spondias dulcis (ambarella). D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose is found in fruits.
trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester
trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester is found in herbs and spices. trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester is a constituent of Salvia officinalis (sage). Constituent of Salvia officinalis (sage). trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester is found in herbs and spices.
6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside
6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside is found in herbs and spices. 6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside is a constituent of sage (Salvia officinalis) leaf. Constituent of sage (Salvia officinalis) leaf [DFC]. 6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside is found in herbs and spices.
a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose
Residue present in tomato oligosaccharides. a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose is found in garden tomato. a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose is found in garden tomato. Residue present in tomato oligosaccharides.
Enterolactone 3'-glucuronide
Enterolactone 3-glucuronide is a lignan metabolite produced in the liver. Enterolactone glucuronide is a potential urinary biomarker of whole grain intake (PMID: 23307617).
Enterolactone 3'-glucuronide
Enterolactone 3-glucuronide is a lignan metabolite produced in the liver. Enterolactone glucuronide is a potential urinary biomarker of whole grain intake (PMID: 23307617).
MeOSuc-AAPA-CMK
5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
4,5-Dihydro-11,5-dihydroxy-4-methoxytephrosin
A member of the class of rotenones that is 4,5-dihydrotephrosin substituted by hydroxy groups at positions 11 and 5 and a methoxy group at position 4. It is isolated from the stems of Tephrosia toxicaria and exhibits antineoplastic activity.
9beta-Acetoxy-9beta-(5-acetoxy-tiglinoyloxy)-2-oxo-ludartin
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-prop-2-enyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
[(4R,6aR,9S,9aR,9bR)-9-methyl-3,6-dimethylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
(+)-(7S,8R,8R)-4,4,9-trihydroxy-3,5-dimethoxy-9-(5-hydroxy-4-oxo-pentanoyl)-2,7-cyclolignane|clemomanshurinane B
2-phenylpropionyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
4-(3-hydroxyprop-1-enyl)-2-methoxyphenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside|coniferyl alcohol 4-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|ligusinenoside A
7,8-trans-8,8-trans-7,8-trans-7,7-bis(5-methoxy-3,4-methylenedioxyphenyl)-8-acetoxymethyl-8-hydroxymethyltetrahydrofuran
5-methoxyphthalide 7-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|5-Methoxyphthalide 7-O-??-xylopyranosyl-(1鈥樏傗垎6)-??-glucopyranoside
ligustrin-<4-hydroxy-5-(4,5-dihydroxytigloyloxy)-tiglate>|ligustrin-[4-hydroxy-5-(4,5-dihydroxytigloyloxy)-tiglate]
(+)-(7S,8R,8R)-4,4,9-trihydroxy-3,5-dimethoxy-9-(5-hydroxy-4-oxo-pentanoyl)-2,7-cyclolignane|clemomanshurinane A
(1RS,2SR)-1,2-dihydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxynaphthalene-2,3-dicarboxylic acid dimethyl ester|dimethyl (?)-thomasidioate|thomasidioic acid dimethyl ester|trans-thomasidioic acid dimethyl ester
(2R)-2-[(4-hydroxyphenyl)methyl]-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2H-furan-5-one
8beta-5-(4,5-dihydroxytigloyl)-4-hydroxytigloyloxydesacetylzuubergenin|8beta-5-<4,5-dihydroxytigloyl>-4-hydroxytigloyloxydesacetylzuubergenin
1-(4-beta-D-glucopyranosyloxybenzyl)-2-isobutyltartrate|coelovirin A
alpha-L-Araf-(1 -> 4)-beta-D-Galp-(1 -> 6)-alphabeta-D-Galp
O-beta-D-Galactopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-xylose
ligustrin-4-hydroxy-5-(2-1,2-dihydroxyacryloyl)-tiglate
2-(benzoyloxymethyl)phenyl (3,6-di-O-acetyl)-beta-D-glucopyranoside
2-(3,4-dihydroxy-4-hydroxymethyltetrahydrofuran-2-yl-oxymethyl)-6-[3-(4-hydroxy-3-methoxyphenyl)allyloxy]tetrahydropyran-3,4,5-triol|coniferyl 9-O-[beta-D-apiofuranosyl(1->6)]-O-beta-D-glucopyranoside
benzoic acid methyl ester 4-O-(3-O-methyl-alpha-L-rhamnopyranosyl)-(1->2)-beta-D-allopyranoside|keteleeroside C
10-beta-D-glucopyranosyloxy-3,9-dimethoxy-7-methoxymethyl-5H-dibenzo[a,c][7]annulene|subavenoside E
lobarin
A member of the class of 2-benzofurans that is 3-butyl-3-hydroxy-2-benzofuran-1(3H)-one substituted by a 3-carboxy-4,6-dihydroxy-2-pentylphenoxy group and a methoxy group at positions 4 and 6, respectively. It is a metabolite isolated from the Sumatran lichen, Stereocaulon halei.
dimethyl (E,E)-4,4?-dihydroxy-3,3?,5,5?-tetramethoxylign-7,7?-dien-9,9?-dioate
3-methoxy-4-O-beta-D-apiofuranosyl-(1?2)-beta-D-glucopyranosylpropiophenone
3-methoxy-4-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosylpropiophenone
1-O-isopropyl-[5-O-(4-hydroxybenzoyl)-beta-D-apiofuranosyl]-(1?2)-beta-D-glucopyranoside|clausenoside A
desacetoxyzuubergenin-8beta-4-hydroxy-5-(1,2-dihydroxyethylacryloyl)-tiglate
4-(4-beta-D-glucopyranosyloxybenzyl)-2-isobutyltartrate|coelovirin B
junipercomnoside E|trans-coniferyl alcohol 9-O-(6-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside
3alpha,4alpha-epoxyligustrin-4-hydroxy-5-(4-hydroxytigloyl)-tiglate
8alpha-(5-acetoxysenecioyloxy)-3-oxo-1-desoxy-1,2-dehydrohirsutinolide-13-O-acetate
6-O-beta-D-glucopyranosyl-2-O-(2-phenylpropionyl)-D-glucose
Coniferin 2-O-beta-D-apiofuranoside|coniferyl alcohol 4-O-beta-apiofuranosyl-(1->2)-beta-glucopyranoside|coniferylalcohol-4-O-2)>glucoside
O-beta-D-Galactopyranosyl-(1 - > 6)-O-beta-D-galactopyranosyl-(1 - > 3)-L-arabinose|O3-(O6-beta-D-Galactopyranosyl-beta-D-galactopyranosyl)-L-arabinose
(aS,5S,6S,7S)-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-5-[Ac]oxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-6-ol|schisanwilsonin F
C21H30O12_beta-D-Glucopyranoside, 2-hydroxy-4-(2-propen-1-yl)phenyl 6-O-beta-D-glucopyranosyl
C21H30O12_4-Allyl-2-(beta-D-glucopyranosyloxy)phenyl beta-D-glucopyranoside
C25H30O9_(4R,6aR,9S,9aR,9bR)-9-Methyl-3,6-bis(methylene)-2,8-dioxododecahydroazuleno[4,5-b]furan-4-yl (2E)-4-hydroxy-2-({[(2E)-4-hydroxy-2-methyl-2-butenoyl]oxy}methyl)-2-butenoate
C21H30O12_4-Acetyl-2-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol_major
1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone_major
Cys Cys His Ile
Cys Cys His Leu
Cys Cys Ile His
Cys Cys Leu His
Cys Cys Ser Tyr
Cys Cys Tyr Ser
Cys Asp His Thr
Cys Asp Thr His
Cys Glu His Ser
Cys Glu Ser His
Cys His Cys Ile
Cys His Cys Leu
Cys His Asp Thr
Cys His Glu Ser
Cys His Ile Cys
Cys His Leu Cys
Cys His Ser Glu
Cys His Thr Asp
Cys Ile Cys His
Cys Ile His Cys
Cys Leu Cys His
Cys Leu His Cys
Cys Pro Gln Gln
Cys Gln Pro Gln
Cys Gln Gln Pro
Cys Ser Cys Tyr
Cys Ser Glu His
Cys Ser His Glu
Cys Ser Tyr Cys
Cys Thr Asp His
Cys Thr His Asp
Cys Tyr Cys Ser
Cys Tyr Ser Cys
Asp Cys His Thr
Asp Cys Thr His
Asp Asp Glu Pro
Asp Asp Pro Glu
Asp Glu Asp Pro
Asp Glu Pro Asp
Asp Phe Gly His
Asp Phe His Gly
Asp Gly Phe His
Asp Gly His Phe
Asp His Cys Thr
Asp His Phe Gly
Asp His Gly Phe
Asp His Thr Cys
Asp Pro Asp Glu
Asp Pro Glu Asp
Asp Thr Cys His
Asp Thr His Cys
Glu Cys His Ser
Glu Cys Ser His
Glu Asp Asp Pro
Glu Asp Pro Asp
Glu His Cys Ser
Glu His Ser Cys
Glu Pro Asp Asp
Glu Ser Cys His
Glu Ser His Cys
Phe Asp Gly His
Phe Asp His Gly
Phe Gly Asp His
Phe Gly His Asp
Phe His Asp Gly
Phe His Gly Asp
Gly Asp Phe His
Gly Asp His Phe
Gly Phe Asp His
Gly Phe His Asp
Gly His Asp Phe
Gly His Phe Asp
Gly His Met Met
Gly Met His Met
Gly Met Met His
His Cys Cys Ile
His Cys Cys Leu
His Cys Asp Thr
His Cys Glu Ser
His Cys Ile Cys
His Cys Leu Cys
His Cys Ser Glu
His Cys Thr Asp
His Asp Cys Thr
His Asp Phe Gly
His Asp Gly Phe
His Asp Thr Cys
His Glu Cys Ser
His Glu Ser Cys
His Phe Asp Gly
His Phe Gly Asp
His Gly Asp Phe
His Gly Phe Asp
His Gly Met Met
His Ile Cys Cys
His Leu Cys Cys
His Met Gly Met
His Met Met Gly
His Met Ser Thr
His Ser Cys Glu
His Ser Glu Cys
His Thr Cys Asp
His Thr Asp Cys
Ile Cys Cys His
Ile Cys His Cys
Ile His Cys Cys
Leu Cys Cys His
Leu Cys His Cys
Leu His Cys Cys
Met Gly His Met
Met Gly Met His
Met His Gly Met
Met His Met Gly
Met Met Gly His
Met Met His Gly
Asn Asn Asn Asn
Pro Asp Asp Glu
Pro Asp Glu Asp
Pro Glu Asp Asp
Ser Cys Cys Tyr
Ser Cys Glu His
Ser Cys His Glu
Ser Cys Tyr Cys
Ser Glu Cys His
Ser Glu His Cys
Ser His Cys Glu
Ser His Glu Cys
Ser Tyr Cys Cys
Thr Cys Asp His
Thr Cys His Asp
Thr Asp Cys His
Thr Asp His Cys
Thr His Cys Asp
Thr His Asp Cys
Tyr Cys Cys Ser
Tyr Cys Ser Cys
Tyr Ser Cys Cys
trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester
6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside
D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose
alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose
a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose
4-Acetyl-2-methoxyphenyl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside
(4R,6aR,9S,9aR,9bR)-9-Methyl-3,6-bis(methylene)-2,8-dioxododecahydroazuleno[4,5-b]furan-4-yl (2E)-4-hydroxy-2-({[(2E)-4-hydroxy-2-methyl-2-butenoyl]oxy}methyl)-2-butenoate
[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-4-[3-(trifluoromethyl)phenoxy ]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benz oate
Methyl 1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucopyranoside
TRIMETHYL((4-((4-((4-(PHENYLETHYNYL)PHENYL)ETHYNYL)PHENYL)ETHYNYL)PHENYL)ETHYNYL)SILANE
(R)-4-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2-(((BENZYLOXY)CARBONYL)AMINO)BUTANOIC ACID
Thiazolo[5,4-d]thiazole, 2,5-bis(3-hexyl-2-thienyl)-
Picloxydine
S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
Glutaminase C-IN-1
Glutaminase C-IN-1 (Compound 968) is an allosteric inhibitor of Glutaminase C that inhibits cancer cell growth without affecting their normal cellular counterparts[1][2].
2,3,5-Tri-O-benzoyl-2-C-methyl-D-ribonic acid-1,4-lactone
flecainide acetate
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(2S,3R,4S,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-tetrahydro-6-(hydroxymethyl)-2-methoxy-2H-pyran-3,4,5-triol
bis(pentamethylcyclopentadienyl)cobalt(iii) hexafluorophosphate
1-N,4-N-bis(3-chlorophenyl)-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
benzene-1,3-dicarboxylic acid,furan-2,5-dione,3-(3-hydroxypropoxy)propan-1-ol,propane-1,2-diol
Fosmetpantotenate
C307 - Biological Agent > C29726 - Enzyme Replacement or Supplement Agent
4-[[(1E)-2-(4-Chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-(2-hydroxybenzoyl)benzoate
methyl 6-benzyl-2-[(2-oxochromene-3-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Keoxifene
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D050071 - Bone Density Conservation Agents
alpha-D-xylosyl-(1->6)-beta-D-glucosyl-(1->4)-beta-D-glucose
(4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)-5-oxohexanoic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoyl]oxyoxane-2-carboxylic acid
Ananolignan D
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Ananolignan E
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
MSACK
D009676 - Noxae > D000477 - Alkylating Agents > D000590 - Amino Acid Chloromethyl Ketones
2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide
3-[4-(4-Morpholinylsulfonyl)phenyl]propanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
(3aS,4R,9bR)-N-(2,5-difluorophenyl)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
alpha-D-mannosyl-(1->6)-[beta-D-xylosyl-(1->2)]-beta-D-mannose
alpha-L-arabinosyl-(1->3)-beta-D-galactosyl-(1->6)-D-galactose
N-[(2R,3S,6S)-6-[2-(4-benzyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-fluorobenzenesulfonamide
2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxylatophenyl)carbamoyl]pyrrolidin-1-ium-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
2-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide
2-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide
2-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide
2-[(2S,4aS,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aR,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(3S,6aS,8S,10aS)-1-(3,5-dichlorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-[(3S,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide
2-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide
N-[(2R,3S,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methylbenzenesulfonamide
N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methylbenzenesulfonamide
N-[(2S,3S,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methylbenzenesulfonamide
2-[(2S,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aS,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aS)-8-[[(3,5-difluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-[(3S,6aS,8R,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide
2-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide
N-[(2S,3R,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methylbenzenesulfonamide
N-[(2S,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methylbenzenesulfonamide
N-[(2S,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methylbenzenesulfonamide
N-[(2R,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methylbenzenesulfonamide
N-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methylbenzenesulfonamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
2-[(2R,4aR,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(3R,6aS,8R,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-[(3R,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
(1R,5S)-N-(3-chlorophenyl)-7-[4-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
[(4R,6aR,9S,9aR,9bR)-9-methyl-3,6-dimethylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (Z)-4-hydroxy-2-[[(E)-4-hydroxy-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
N-[4-[[4-(3-cyanobenzoyl)piperazin-1-yl]methyl]phenyl]-4-methylbenzenesulfonamide
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] nonanoate
[2-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] butanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] pentanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] hexanoate
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol)
A 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as butanoyl.
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl beta-D-glucuronide(1-)
A beta-D-glucosiduronate that is the conjugate base of E3040 glucuronide, obtained by the deprotonation of the carboxy group; major species at pH 7.3.
ertapenem(1-)
The mono-anion resulting from the removal of a proton from one of the carboxyic acid groups of ertapenem.
(1s,2s,3s,4r,7s,14s,16s)-2-hydroxy-4-[(2s)-3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl]-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.0³,¹⁴.0¹⁴,¹⁸]octadec-11(18)-ene-6,10,12-trione
(8r,9r,10s)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-8-yl acetate
9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-{[(3,4-dihydroxy-2-methylidenebutanoyl)oxy]methyl}-4-hydroxybut-2-enoate
6,11,14-trihydroxy-5,17,18-trimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,9,11,15(20),16,18-hexaen-13-one
(10r)-10-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-12-one
(2r,3r,4s,5r,6s)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}oxane-3,5-diol
(2e)-3-{[(3ar,4r,9as,9br)-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-2-(2-hydroxyethylidene)-3-oxopropyl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2s)-2-phenylpropanoate
{[2-amino-1,4-dihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3h-pyridin-1-yl)oxolan-2-yl]acetic acid
1-{3-methoxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethanone
(3ar,4r,6ar,9ar,9br)-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-2-({[(3s)-3,4-dihydroxy-2-methylidenebutanoyl]oxy}methyl)-4-hydroxybut-2-enoate
methyl 2-[(5z)-9-(acetyloxy)-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.0⁴,¹⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16)-trien-4-yl]-2-oxoacetate
9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl 4-hydroxy-2-({[2-(hydroxymethyl)but-2-enoyl]oxy}methyl)but-2-enoate
(2s,3s,4s,5s,6s)-6-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl]methoxy}oxane-2,3,4,5-tetrol
2,3-dimethyl 7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxylate
1-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-methoxyphenyl)propan-1-one
[4-(hydroxymethyl)-2,5-bis(7-methoxy-2h-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
2-hydroxy-4-(3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl)-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.0³,¹⁴.0¹⁴,¹⁸]octadec-11(18)-ene-6,10,12-trione
(2s,3r)-2,3-dihydroxy-4-methyl-3-{[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]carbonyl}hexanoic acid
4-[β-d-apiofuranosyl-(1→6)-β-d-glucopyra-nosyloxy]-3-methoxypropiophenone
{"Ingredient_id": "HBIN010264","Ingredient_name": "4-[\u03b2-d-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyra-nosyloxy]-3-methoxypropiophenone","Alias": "NA","Ingredient_formula": "C21H30O12","Ingredient_Smile": "CCC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14339","TCMID_id": "1513","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-butoxygeniposide
{"Ingredient_id": "HBIN012283","Ingredient_name": "6-butoxygeniposide","Alias": "NA","Ingredient_formula": "C21H30O12","Ingredient_Smile": "NA","Ingredient_weight": "474.461","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7579","PubChem_id": "NA","DrugBank_id": "NA"}
anticancerrotenoid pmv70p691-036
{"Ingredient_id": "HBIN016352","Ingredient_name": "anticancerrotenoid pmv70p691-036","Alias": "NA","Ingredient_formula": "C24H26O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1436","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta-d-xylopyranosyl-(1-6)-alpha-d-glucopyranosl-(1-6)-beta-d-glucopyranoside
{"Ingredient_id": "HBIN018087","Ingredient_name": "beta-d-xylopyranosyl-(1-6)-alpha-d-glucopyranosl-(1-6)-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H30O15","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32241","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}