EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214339 - Peniginsengin C

ChEBI IDCHEBI:214339
ChEBI NamePeniginsengin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5
Net Charge0
Average Mass336.428
Monoisotopic Mass336.19367
SMILESCC(=CC[C@H]1C(=O)C=C(C)[C@@H](O)[C@H]1O)CCC=C(C)CCC(=O)O
InChIInChI=1S/C19H28O5/c1-12(5-4-6-13(2)8-10-17(21)22)7-9-15-16(20)11-14(3)18(23)19(15)24/h6-7,11,15,18-19,23-24H,4-5,8-10H2,1-3H3,(H,21,22)/t15-,18+,19-/m0/s1
InChIKeyOVXHRXJLYVVSDE-IPELMVKDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30275364)
ChEBI Ontology
Outgoing Relation(s)
Peniginsengin C (CHEBI:214339) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
10-[(1R,5R,6S)-5,6-dihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid
Manual XrefsDatabases
78439292ChemSpider