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CHEBI:215067 - Javanicol E

ChEBI IDCHEBI:215067
ChEBI NameJavanicol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESC/C=C/C1=CC(=O)[C@](O)([C@]2(O)C(=O)C=C(/C=C/C)[C@@H]2O)C1
InChIInChI=1S/C16H18O5/c1-3-5-10-7-12(17)15(20,9-10)16(21)13(18)8-11(6-4-2)14(16)19/h3-8,14,19-21H,9H2,1-2H3/b5-3+,6-4+/t14-,15-,16-/m0/s1
InChIKeyVKCGSCGNDTXAGK-NUKHFVSJSA-N
Species of MetaboliteComponentSourceComments
Penicillium javanicum (ncbitaxon:28578) - PubMed (31731236)
ChEBI Ontology
Outgoing Relation(s)
Javanicol E (CHEBI:215067) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(4S,5S)-4,5-dihydroxy-5-[(1R)-1-hydroxy-2-oxo-4-[(E)-prop-1-enyl]cyclopent-3-en-1-yl]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one