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CHEBI:188098 - Ganoderic acid Mb

Default Structure
ChEBI IDCHEBI:188098
ChEBI NameGanoderic acid Mb
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O9
Net Charge0
Average Mass630.819
Monoisotopic Mass630.37678
SMILESCC(=O)OC(C/C=C(\C)C(=O)O)C(C)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O
InChIInChI=1S/C36H54O9/c1-19(32(41)42)11-12-27(43-21(3)37)20(2)25-17-30(45-23(5)39)36(10)31-24(13-16-35(25,36)9)34(8)15-14-29(44-22(4)38)33(6,7)28(34)18-26(31)40/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+
InChIKeyCJPRYGHXZADIKU-YBFXNURJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid Mb (CHEBI:188098) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E)-5-acetyloxy-6-(3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Manual XrefsDatabases
74886418ChemSpider
HMDB0035336HMDB