Exact Mass: 454.214398
Exact Mass Matches: 454.214398
Found 317 metabolites which its exact mass value is equals to given mass value 454.214398
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
beta-FNA
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D009676 - Noxae > D000477 - Alkylating Agents
Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]
C19H34O12 (454.20501640000003)
Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] is found in fruits. Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] is isolated from Cape gooseberry (Physalis peruviana).
beta-Funaltrexamine
Cardivin D
A germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon).
[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
2,2,2,2-Tetramethyl-3,3,4,4-tetrahydro-5,5-bi[2H-naphtho[1,2-b]pyran]-6,6-diol
Me glycoside, 2-benzyl,3,4-O-isopropylidene-alphaalpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose|Me glycoside, Benzyl glycoside,2-benzyl,3,4-O-isopropylidene-Alpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose
Valeriandoid F
Val Ala His Glu
Ala Ala Phe Phe
Ala Asp His Ile
Ala Asp His Leu
Ala Asp Ile His
Ala Asp Leu His
Ala Glu His Val
Ala Glu Val His
Ala Phe Ala Phe
Ala Phe Phe Ala
Ala His Asp Ile
Ala His Asp Leu
Ala His Glu Val
Ala His Ile Asp
Ala His Leu Asp
Ala His Val Glu
Ala Ile Asp His
Ala Ile His Asp
Ala Leu Asp His
Ala Leu His Asp
Ala Thr Thr Tyr
Ala Thr Tyr Thr
Ala Val Glu His
Ala Val His Glu
Ala Tyr Thr Thr
Asp Ala His Ile
Asp Ala His Leu
Asp Ala Ile His
Asp Ala Leu His
Asp His Ala Ile
Asp His Ala Leu
Asp His Ile Ala
Asp His Leu Ala
Asp Ile Ala His
Asp Ile His Ala
Asp Leu Ala His
Asp Leu His Ala
Glu Ala His Val
Glu Ala Val His
Glu Gly His Ile
Glu Gly His Leu
Glu Gly Ile His
Glu Gly Leu His
Glu His Ala Val
Glu His Gly Ile
Glu His Gly Leu
Glu His Ile Gly
Glu His Leu Gly
Glu His Val Ala
Glu Ile Gly His
Glu Ile His Gly
Glu Leu Gly His
Glu Leu His Gly
Glu Val Ala His
Glu Val His Ala
Phe Ala Ala Phe
Phe Ala Phe Ala
Phe Phe Ala Ala
Phe Ser Thr Thr
Phe Thr Ser Thr
Phe Thr Thr Ser
Gly Glu His Ile
Gly Glu His Leu
Gly Glu Ile His
Gly Glu Leu His
Gly His Glu Ile
Gly His Glu Leu
Gly His Ile Glu
Gly His Leu Glu
Gly Ile Glu His
Gly Ile His Glu
Gly Leu Glu His
Gly Leu His Glu
His Ala Asp Ile
His Ala Asp Leu
His Ala Glu Val
His Ala Ile Asp
His Ala Leu Asp
His Ala Val Glu
His Asp Ala Ile
His Asp Ala Leu
His Asp Ile Ala
His Asp Leu Ala
His Glu Ala Val
His Glu Gly Ile
His Glu Gly Leu
His Glu Ile Gly
His Glu Leu Gly
His Glu Val Ala
His Gly Glu Ile
His Gly Glu Leu
His Gly Ile Glu
His Gly Leu Glu
His Ile Ala Asp
His Ile Asp Ala
His Ile Glu Gly
His Ile Gly Glu
His Leu Ala Asp
His Leu Asp Ala
His Leu Glu Gly
His Leu Gly Glu
His Pro Thr Thr
His Thr Pro Thr
His Thr Thr Pro
His Val Ala Glu
His Val Glu Ala
Ile Ala Asp His
Ile Ala His Asp
Ile Asp Ala His
Ile Asp His Ala
Ile Glu Gly His
Ile Glu His Gly
Ile Gly Glu His
Ile Gly His Glu
Ile His Ala Asp
Ile His Asp Ala
Ile His Glu Gly
Ile His Gly Glu
Leu Ala Asp His
Leu Ala His Asp
Leu Asp Ala His
Leu Asp His Ala
Leu Glu Gly His
Leu Glu His Gly
Leu Gly Glu His
Leu Gly His Glu
Leu His Ala Asp
Leu His Asp Ala
Leu His Glu Gly
Leu His Gly Glu
Asn Pro Pro Gln
Asn Pro Gln Pro
Asn Gln Pro Pro
Pro His Thr Thr
Pro Asn Pro Gln
Pro Asn Gln Pro
Pro Pro Asn Gln
Pro Pro Gln Asn
Pro Gln Asn Pro
Pro Gln Pro Asn
Pro Thr His Thr
Pro Thr Thr His
Gln Asn Pro Pro
Gln Pro Asn Pro
Gln Pro Pro Asn
Ser Phe Thr Thr
Ser Ser Val Tyr
Ser Ser Tyr Val
Ser Thr Phe Thr
Ser Thr Thr Phe
Ser Val Ser Tyr
Ser Val Tyr Ser
Ser Tyr Ser Val
Ser Tyr Val Ser
Thr Ala Thr Tyr
Thr Ala Tyr Thr
Thr Phe Ser Thr
Thr Phe Thr Ser
Thr His Pro Thr
Thr His Thr Pro
Thr Pro His Thr
Thr Pro Thr His
Thr Ser Phe Thr
Thr Ser Thr Phe
Thr Thr Ala Tyr
Thr Thr Phe Ser
Thr Thr His Pro
Thr Thr Pro His
Thr Thr Ser Phe
Thr Thr Tyr Ala
Thr Tyr Ala Thr
Thr Tyr Thr Ala
Val Ala Glu His
Val Glu Ala His
Val Glu His Ala
Val His Ala Glu
Val His Glu Ala
Val Ser Ser Tyr
Val Ser Tyr Ser
Val Tyr Ser Ser
Tyr Ala Thr Thr
Tyr Ser Ser Val
Tyr Ser Val Ser
Tyr Thr Ala Thr
Tyr Thr Thr Ala
Tyr Val Ser Ser
Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]
C19H34O12 (454.20501640000003)
3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3S-hydroxybutanoate
C19H34O12 (454.20501640000003)
3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3R-hydroxybutanoate
C19H34O12 (454.20501640000003)
FA 19:2;O10
C19H34O12 (454.20501640000003)
butane-1,4-diol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene,oxepan-2-one
1,2-Dibenzyl 3-tert-butyl piperazine-1,2,3-tricarboxylate
N-Phenyl-5-(4-Fluorophenyl)-2-isopropyl-1-(3-oxopropyl)-4-phenyl-1H-pyrrole-3-carboxamide
Biphenylindanone A
Biphenylindanone A (BINA) is a selective human mGluR2 (hmGluR2) potentiator for the treatment of many neurological disorders[1].
butane-1,4-diol,1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene,oxepan-2-one
4-methylumbelliferyl phosphate, bis(cyclohexylammonium) salt
C22H35N2O6P (454.22326200000003)
1,10-Decanedione,1,10-bis(1-hydroxy-2-naphthyl)- (6CI,8CI)
Lisuride Maleate
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
Benzamide, 3-ethyl-4-[3-(1-methylethyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-1H-pyrazolo[3,4-b]pyridin-1-yl]-
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
Methyl (E)-4-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate
1-Arachidonoylglycerone 3-phosphate(2-)
C23H35O7P-2 (454.21202900000003)
6-ethyl-3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(phenylmethyl)amino]methyl]-1H-quinolin-2-one
1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
A 1,2-diacyl-sn-glycero-3-phosphocholine having caproyl and 5-oxovaleryl groups at the 1- and 2-positions respectively.
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
(5E)-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyridin-4-ylidene)-1H-imidazol-4-ylidene]-N-oxido-2,3-dihydroinden-1-amine
beta-Funaltrexamine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D009676 - Noxae > D000477 - Alkylating Agents
1-Arachidonoylglycerone 3-phosphate(2-)
C23H35O7P (454.21202900000003)
A 1-acylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-arachidonoylglycerone 3-phosphate; major species at pH 7.3.
AZD9056 (hydrochloride)
AZD9056 hydrochloride is a selective orally active inhibitor of P2X7 which plays a significant role in inflammation and pain-causing diseases.
(1r,9s,10s,12s,13e,15s,16s,17r,18s)-18-(acetyloxy)-13-ethylidene-4-methoxy-17-(methoxycarbonyl)-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-15-ium-15-olate
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{2-[2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]ethoxy}oxane-3,4,5-triol
C19H34O12 (454.20501640000003)
(3ar,4s,6s,8s,10r,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-4-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-11-yl 2-methylpropanoate
11-homohydroxyldidrovaltrate
{"Ingredient_id": "HBIN000429","Ingredient_name": "11-homohydroxyldidrovaltrate","Alias": "NA","Ingredient_formula": "C23H34O9","Ingredient_Smile": "CCC(C)CC(=O)OCC1=COC(C2C1(CC(C23CO3)OC(=O)C)O)OC(=O)CC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9609","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-α-l-arabinopyranosyl-(1→6)-β-d-gluco-pyranoside of butyl(3r)-hydroxybutanoate
C19H34O12 (454.20501640000003)
{"Ingredient_id": "HBIN009065","Ingredient_name": "3-o-\u03b1-l-arabinopyranosyl-(1\u21926)-\u03b2-d-gluco-pyranoside of butyl(3r)-hydroxybutanoate","Alias": "NA","Ingredient_formula": "C19H34O12","Ingredient_Smile": "CCCCOC(=O)CC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1567","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-α-l-arabinopyranosyl-(1→6)-β-d-gluco-pyranoside of butyl(3s)-hydroxybutanoate
C19H34O12 (454.20501640000003)
{"Ingredient_id": "HBIN009066","Ingredient_name": "3-o-\u03b1-l-arabinopyranosyl-(1\u21926)-\u03b2-d-gluco-pyranoside of butyl(3s)-hydroxybutanoate","Alias": "NA","Ingredient_formula": "C19H34O12","Ingredient_Smile": "CCCCOC(=O)CC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1563","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
({[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}(methyl)amino)dihydroxy(1-hydroxy-2-methoxy-2-oxoethyl)phosphanium
[(2r,3s,4s,5r,6s)-6-{[(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
3-[(2,3-dimethylbut-2-enoyl)oxy]-2,5,6-trihydroxy-4-[(2-methylbut-2-enoyl)oxy]cyclohexyl 2,3-dimethylbut-2-enoate
(1r,2s,3r,7r,8s,9r,10r,13r)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-2-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-8-yl 2-methylpropanoate
3-[(1,3-dihydroxy-13-{2-[(1-hydroxyethylidene)amino]-3-methoxyphenyl}trideca-4,6,8,10,12-pentaen-1-ylidene)amino]propanoic acid
(3as,4s,5r,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
(3as,4s,6s,8s,10s,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
methyl 6-[1-hydroxy-2-(5-hydroxy-5-methylhexyl)-3-methoxy-3-oxopropyl]phenazine-1-carboxylate
[(2r,3s,4s,5r,6r)-6-{[(4s)-4-[(3ar,7ar)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
3-{[(3r,4e,6e,8e,10e,12e)-1,3-dihydroxy-13-{2-[(1-hydroxyethylidene)amino]-3-methoxyphenyl}trideca-4,6,8,10,12-pentaen-1-ylidene]amino}propanoic acid
(3ar,4r,5r,6r,10r,11r,11as)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
butyl (3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanoate
C19H34O12 (454.20501640000003)
1,9-dihydroxy-9,13-dimethyl-4-methylidene-8-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-2-yl 2-methylpropanoate
5-{6-hydroxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-yl}-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-6-ol
(3,4,5-trihydroxy-6-{[4-(6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl)pentyl]oxy}oxan-2-yl)methyl acetate
(3ar,4r,5r,6r,10r,11r,11as)-5,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
5,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
(3as,4s,5s,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
[3,4,5-trihydroxy-6-({3,5,8-trimethyl-2-oxo-3h,3ah,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-5-yl}oxy)oxan-2-yl]methyl acetate
8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
[(2r,3s,4s,6s)-6-{[(3s,3as,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6s)-6-{[(3s,3ar,5r,7as,8r,9ar)-3,5,8-trimethyl-2-oxo-3h,3ah,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(1r,9s,10s,12s,13e,16s,17r,18s)-18-(acetyloxy)-13-ethylidene-4-methoxy-17-(methoxycarbonyl)-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-15-ium-15-olate
6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl 3-methylpentanoate
(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl (3r)-3-methylpentanoate
(2s,3r,4s,5s,6r)-2-[(3'ar,4'r,7'ar)-4'-hydroxy-2',2',4',6'-tetramethyl-1',3'a-dihydrospiro[cyclopropane-1,5'-inden]-3'-oneoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{2-[(2r,3r)-2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]ethoxy}oxane-3,4,5-triol
C19H34O12 (454.20501640000003)
[(2r,3s,4s,5r,6r)-6-{[(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
butyl (3s)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanoate
C19H34O12 (454.20501640000003)