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CHEBI:176117 - Ganoderic acid W

Default Structure
ChEBI IDCHEBI:176117
ChEBI NameGanoderic acid W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O7
Net Charge0
Average Mass572.783
Monoisotopic Mass572.37130
SMILESCC(=O)OC1CCC2(C)C3=C(C(O)CC2C1(C)C)C1(C)C(OC(C)=O)CC(C(C)CC/C=C(/C)C(=O)O)C1(C)CC3
InChIInChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-28(41-22(4)36)34(9)29-23(13-16-33(24,34)8)32(7)15-14-27(40-21(3)35)31(5,6)26(32)18-25(29)37/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-
InChIKeyDIXZQXARJMRUPX-NDENLUEZSA-N
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid W (CHEBI:176117) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-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
74886390ChemSpider
HMDB0033078HMDB