EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198569 - Ganoderic acid-V1

Default Structure
ChEBI IDCHEBI:198569
ChEBI NameGanoderic acid-V1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILESC/C(=C\CCC(C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O
InChIInChI=1S/C30H42O7/c1-16(25(35)36)9-8-11-29(6,37)20-14-22(34)30(7)24-17(31)13-19-26(2,3)21(33)10-12-27(19,4)23(24)18(32)15-28(20,30)5/h9,19-21,33,37H,8,10-15H2,1-7H3,(H,35,36)/b16-9+/t19?,20-,21-,27-,28+,29?,30-/m0/s1
InChIKeyFELIGGHUKPABHF-PAUWJORXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1016/0031-9422(93)85523-t)
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid-V1 (CHEBI:198569) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E)-6-hydroxy-6-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78443546ChemSpider