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CHEBI:218087 - Emericelactone A

ChEBI IDCHEBI:218087
ChEBI NameEmericelactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILESC/C=C(\C)[C@H](O)/C(C)=C/C(C)=C\C=C\C=C\[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)C2(C)C
InChIInChI=1S/C25H34O4/c1-9-17(3)19(26)18(4)15-16(2)13-11-10-12-14-24(7)21-23(5,6)20(27)25(24,8)22(28)29-21/h9-15,19,21,26H,1-8H3/b11-10+,14-12+,16-13-,17-9+,18-15+/t19-,21-,24+,25-/m0/s1
InChIKeyPSEQDKOEUKPHCZ-PSTBTISBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2018.11.032)
ChEBI Ontology
Outgoing Relation(s)
Emericelactone A (CHEBI:218087) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(1R,4S,7S)-7-[(1E,3E,5Z,7E,9S,10E)-9-hydroxy-6,8,10-trimethyldodeca-1,3,5,7,10-pentaenyl]-4,6,6,7-tetramethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione
Manual XrefsDatabases
78441782ChemSpider