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CHEBI:176159 - (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside

ChEBI IDCHEBI:176159
ChEBI Name(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O8
Net Charge0
Average Mass590.798
Monoisotopic Mass590.38187
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C1(C)CCC1C23C=CC2(CC(OC4OC(CO)C(O)C(O)C4O)CCC12C)OO3
InChIInChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+
InChIKeyCKJZKFPVVUQBMB-BQYQJAHWSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside (CHEBI:176159) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[[5-[(E)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0037956HMDB