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CHEBI:189933 - Ganoderic acid Mc

Default Structure
ChEBI IDCHEBI:189933
ChEBI NameGanoderic acid Mc
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O9
Net Charge0
Average Mass630.819
Monoisotopic Mass630.37678
SMILESCC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)C(C/C=C(\C)C(=O)O)OC(C)=O)C1(C)CC2
InChIInChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+
InChIKeyGHQBLEWBYHWXAC-YBFXNURJSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid Mc (CHEBI:189933) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E)-5-acetyloxy-6-(3,7-diacetyloxy-15-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
74886430ChemSpider
HMDB0035725HMDB