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CHEBI:201171 - Isochromophilone I

ChEBI IDCHEBI:201171
ChEBI NameIsochromophilone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25ClO5
Net Charge0
Average Mass416.901
Monoisotopic Mass416.13905
SMILESCCC(C)C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C3(C)OC(=O)C(C(C)=O)C3C2=CO1
InChIInChI=1S/C23H25ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12,18-19H,6H2,1-5H3/b8-7+,13-9?
InChIKeyBFKHRJFETIBYAU-UNTXJBCESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (7649871)
ChEBI Ontology
Outgoing Relation(s)
Isochromophilone I (CHEBI:201171) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
9-acetyl-5-chloro-3-[(1E)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
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78443976ChemSpider