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(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside

PropertiesImage
MNX_IDMNXM115164 Image of MNXM115164
referencechebi:168161
formulaC21H34O8
global charge0
mol weight414.495
InChIKeyUQEPDFZSKJICHS-UHFFFAOYSA-N
InChIInChI=1S/C21H34O8/c1-11-6-14(24)7-12(2)21(11)5-4-13(8-21)20(3,10-23)29-19-18(27)17(26)16(25)15(9-22)28-19/h6,12-13,15-19,22-23,25-27H,4-5,7-10H2,1-3H3
SMILESCC1=CC(=O)CC(C)C12CCC(C(C)(CO)OC1OC(CO)C(O)C(O)C1O)C2
MNX internals
InChI (mnx)InChI=1/C21H34O8/c1-11-6-14(24)7-12(2)21(11)5-4-13(8-21)20(3,10-23)29-19-18(27)17(26)16(25)15(9-22)28-19/h6,12-13,15-19,22-23,25-27H,4-5,7-10H2,1-3H3/t12?,13?,15?,16?,17?,18?,19?,20?,21? Image of MNXM115164
SMILES (mnx)[CH3:1][C:11]1=[CH:6][C:14](=[O:24])[CH2:7][CH:12]([CH3:2])[C:21]12[CH2:5][CH2:4][CH:13]([C:20]([CH3:3])([CH2:10][OH:23])[O:29][CH:19]1[CH:18]([OH:27])[CH:17]([OH:26])[CH:16]([OH:25])[CH:15]([CH2:9][OH:22])[O:28]1)[CH2:8]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:168161
chebi:168161
UQEPDFZSKJICHS-UHFFFAOYSA-N 		(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside
3-[1-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-9-en-8-one
hmdb:HMDB0033150
UQEPDFZSKJICHS-UHFFFAOYSA-N 		(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside
2-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

hmdb:HMDB33150 		secondary/obsolete/fantasy identifier