CHEBI:214339 - Peniginsengin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Peniginsengin C
ChEBI ID CHEBI:214339
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O5
Net Charge 0
Average Mass 336.428
Monoisotopic Mass 336.19367
InChI InChI=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
InChIKey OVXHRXJLYVVSDE-IPELMVKDSA-N
SMILES O=C1C=C([C@@H](O)[C@H]([C@H]1CC=C(CCC=C(CCC(=O)O)C)C)O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78439292 ChemSpider
View more database links