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CHEBI:192898 - Ganoderic acid DM

Default Structure
ChEBI IDCHEBI:192898
ChEBI NameGanoderic acid DM
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O4
Net Charge0
Average Mass468.678
Monoisotopic Mass468.32396
SMILES[H][C@@]12CC(=O)C3=C(CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,28-,29-,30+/m1/s1
InChIKeyZTKZZRIVAYGFSF-PIPDTRPPSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid DM (CHEBI:192898) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
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