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CHEBI:176120 - (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside

ChEBI IDCHEBI:176120
ChEBI Name(3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O6
Net Charge0
Average Mass572.827
Monoisotopic Mass572.40769
SMILESC=C(C)C(/C=C/C(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)CC
InChIInChI=1S/C35H56O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,21-24,26-33,36-39H,2,7,10,12-19H2,1,3-6H3/b9-8+
InChIKeyXUUMFDUVFVNHSM-CMDGGOBGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside (CHEBI:176120) has parent hydride stigmastane (CHEBI:26773)
(3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside (CHEBI:176120) is a steroid (CHEBI:35341)
IUPAC Name 
2-[[17-[(3E)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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