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CHEBI:173308 - Chondrillasterol 3-[glucosyl-(1->4)-glucoside]

ChEBI IDCHEBI:173308
ChEBI NameChondrillasterol 3-[glucosyl-(1->4)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68O11
Net Charge0
Average Mass736.984
Monoisotopic Mass736.47616
SMILESCCC(/C=C/C(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C)C(C)C
InChIInChI=1S/C41H68O11/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-18-25(14-16-40(24,5)29(26)15-17-41(27,28)6)49-38-36(48)34(46)37(31(20-43)51-38)52-39-35(47)33(45)32(44)30(19-42)50-39/h8-9,11,21-25,27-39,42-48H,7,10,12-20H2,1-6H3/b9-8+
InChIKeyTZCNBGOTFQYFAL-CMDGGOBGSA-N
ChEBI Ontology
Outgoing Relation(s)
Chondrillasterol 3-[glucosyl-(1->4)-glucoside] (CHEBI:173308) has parent hydride stigmastane (CHEBI:26773)
Chondrillasterol 3-[glucosyl-(1->4)-glucoside] (CHEBI:173308) is a steroid (CHEBI:35341)
IUPAC Name 
2-[6-[[17-[(E)-5-ethyl-6-methylhept-3-en-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]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0033886HMDB