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CHEBI:222947 - Ganoderic aldehyde TR

Default Structure
ChEBI IDCHEBI:222947
ChEBI NameGanoderic aldehyde TR
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O3
Net Charge0
Average Mass452.679
Monoisotopic Mass452.32905
SMILESCC(C=O)=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=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
InChIKeyCQYCAQYQKRBNHY-WETGDCJDSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (20384295)
ChEBI Ontology
Outgoing Relation(s)
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