CHEBI:222947 - Ganoderic aldehyde TR

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ChEBI Name Ganoderic aldehyde TR
ChEBI ID CHEBI:222947
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O3
Net Charge 0
Average Mass 452.679
Monoisotopic Mass 452.32905
InChI InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,18,20,23-24,26,33H,8,10,12,14-17H2,1-7H3/t20-,23-,24?,26+,28-,29-,30-/m1/s1
InChIKey CQYCAQYQKRBNHY-WETGDCJDSA-N
SMILES O=C1C(C2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CCC=C(C=O)C)C)C[C@@H]4O)(C)CC3)C)=CC2)(C)CC1)(C)C
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) See: PubMed
ChEBI Ontology
Outgoing Ganoderic aldehyde TR (CHEBI:222947) is a triterpenoid (CHEBI:36615)
IUPAC Name
(6R)-6-[(10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal