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CHEBI:176152 - Ganoderic acid Md

Default Structure
ChEBI IDCHEBI:176152
ChEBI NameGanoderic acid Md
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O7
Net Charge0
Average Mass586.810
Monoisotopic Mass586.38695
SMILESCOC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)CCC(C(C)C(C/C=C(/C)C(=O)O)OC(C)=O)C1(C)CC2
InChIInChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11-
InChIKeyUBGHTOOEMRLEGM-JAIQZWGSSA-N
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid Md (CHEBI:176152) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-5-acetyloxy-6-(3-acetyloxy-7-methoxy-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
74886416ChemSpider
HMDB0035331HMDB