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CHEBI:219837 - Epolactaene

ChEBI IDCHEBI:219837
ChEBI NameEpolactaene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27NO6
Net Charge0
Average Mass389.448
Monoisotopic Mass389.18384
SMILESC/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)C12OC1C(C)(O)NC2=O)C(=O)OC
InChIInChI=1S/C21H27NO6/c1-6-15(17(24)27-5)12-13(2)10-8-7-9-11-14(3)16(23)21-18(28-21)20(4,26)22-19(21)25/h6,8,10-12,18,26H,7,9H2,1-5H3,(H,22,25)/b10-8+,13-12+,14-11+,15-6+
InChIKeyGFRNQYUCUNYIEN-WCUXJJRUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (11960746)
ChEBI Ontology
Outgoing Relation(s)
Epolactaene (CHEBI:219837) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2E,3E,5E,9E)-2-ethylidene-11-(4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl)-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate
Manual XrefsDatabases
8084033ChemSpider