CHEBI:215067 - Javanicol 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 Javanicol E
ChEBI ID CHEBI:215067
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H18O5
Net Charge 0
Average Mass 290.315
Monoisotopic Mass 290.11542
InChI InChI=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
InChIKey VKCGSCGNDTXAGK-NUKHFVSJSA-N
SMILES O=C1C=C(/C=C/C)[C@@H]([C@]1(O)[C@@]2(O)C(=O)C=C(C2)/C=C/C)O
Metabolite of Species Details
Penicillium javanicum (NCBI:txid28578) See: PubMed
ChEBI Ontology
Outgoing 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