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CHEBI:227474 - Cristaquinone A

ChEBI IDCHEBI:227474
ChEBI NameCristaquinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H15ClO6
Net Charge0
Average Mass350.754
Monoisotopic Mass350.05572
SMILESCOC(=O)c1c(O)cc(C)c(Cl)c1CC1=CC(=O)C=C(OC)C1=O
InChIInChI=1S/C17H15ClO6/c1-8-4-12(20)14(17(22)24-3)11(15(8)18)6-9-5-10(19)7-13(23-2)16(9)21/h4-5,7,20H,6H2,1-3H3
InChIKeyAMJSUDUZRWDREY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cristatus (ncbitaxon:573508) - PubMed (30529862)
ChEBI Ontology
Outgoing Relation(s)
Cristaquinone A (CHEBI:227474) is a prenylquinone (CHEBI:26255)
IUPAC Name 
methyl 3-chloro-6-hydroxy-2-[(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4-methylbenzoate