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CHEBI:214352 - Peniginsengin E

ChEBI IDCHEBI:214352
ChEBI NamePeniginsengin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESCC(=O)O[C@@H]1C(C)=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCC(=O)O)O[C@H]12
InChIInChI=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
InChIKeyVCQNCKMTKVXQKA-NJYVYQBISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30275364)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78439294ChemSpider