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CHEBI:191815 - Ganoderic acid Mf

Default Structure
ChEBI IDCHEBI:191815
ChEBI NameGanoderic acid Mf
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O5
Net Charge0
Average Mass512.731
Monoisotopic Mass512.35017
SMILESCC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)CC/C=C(\C)C(=O)O)CC(O)C4(C)C3=CCC2C1(C)C
InChIInChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-26(34)32(8)23-12-13-25-29(4,5)27(37-21(3)33)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+
InChIKeyNXZJPJLQVAKBTH-RGVLZGJSSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid Mf (CHEBI:191815) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E)-6-(3-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Manual XrefsDatabases
HMDB0035330HMDB