CHEBI:214352 - Peniginsengin E

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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 E
ChEBI ID CHEBI:214352
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O6
Net Charge 0
Average Mass 376.449
Monoisotopic Mass 376.18859
InChI InChI=1S/C21H28O6/c1-13(8-9-18(24)25)6-5-7-14(2)10-11-21-17(23)12-15(3)19(20(21)27-21)26-16(4)22/h6,10,12,19-20H,5,7-9,11H2,1-4H3,(H,24,25)/t19-,20-,21+/m1/s1
InChIKey VCQNCKMTKVXQKA-NJYVYQBISA-N
SMILES O=C1C=C([C@@H](OC(=O)C)[C@@H]2[C@]1(O2)CC=C(CCC=C(CCC(=O)O)C)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Peniginsengin E (CHEBI:214352) is a monoterpenoid (CHEBI:25409)
IUPAC Name
10-[(1R,5R,6R)-5-acetyloxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid
Manual Xref Database
78439294 ChemSpider
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