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CHEBI:183549 - Ganoderic acid C1

Default Structure
ChEBI IDCHEBI:183549
ChEBI NameGanoderic acid C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILES[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@@]4(C)[C@@]3(C)C(=O)C[C@]4([H])[C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,28+,29-,30+/m1/s1
InChIKeyYTVGSCZIHGRVAV-NJNFCIENSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid C1 (CHEBI:183549) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Manual XrefsDatabases
413670ChemSpider
Registry NumbersSources
CAS:95311-97-0ChemIDplus