EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215134 - Piptolinic acid C

Default Structure
ChEBI IDCHEBI:215134
ChEBI NamePiptolinic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O4
Net Charge0
Average Mass498.748
Monoisotopic Mass498.37091
SMILESC=C(CC[C@@H](C(=O)O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC3)C(C)C
InChIInChI=1S/C32H50O4/c1-20(2)22(5)10-11-23(29(34)35)25-14-18-32(8)27-13-12-24(21(3)4)30(6,17-16-28(33)36-9)26(27)15-19-31(25,32)7/h20,23-25H,3,5,10-19H2,1-2,4,6-9H3,(H,34,35)/t23-,24+,25?,30+,31-,32+/m1/s1
InChIKeyCRPCVJPUMZQFIS-GCWBXSRQSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis betulina (ncbitaxon:40450) - PubMed (28800422)
ChEBI Ontology
Outgoing Relation(s)
Piptolinic acid C (CHEBI:215134) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3aR,6S,7S,9bR)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
78442165ChemSpider