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CHEBI:210569 - Sclerketide A

ChEBI IDCHEBI:210569
ChEBI NameSclerketide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCC[C@H](C)/C=C(C)/C=C/C(=O)c1cc2c(cc1O)C(=O)C(=O)C(C)=C2O
InChIInChI=1S/C21H22O5/c1-5-11(2)8-12(3)6-7-17(22)16-9-14-15(10-18(16)23)21(26)20(25)13(4)19(14)24/h6-11,23-24H,5H2,1-4H3/b7-6+,12-8+/t11-/m0/s1
InChIKeyZHOPWFQHOCCUHF-QBHSOJFESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31077912)
ChEBI Ontology
Outgoing Relation(s)
Sclerketide A (CHEBI:210569) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
6-[(2E,4E,6S)-4,6-dimethylocta-2,4-dienoyl]-4,7-dihydroxy-3-methylnaphthalene-1,2-dione