Isochromophilone I (CHEBI:201171)

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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	Isochromophilone I

ChEBI ID	CHEBI:201171

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H25ClO5

Net Charge

Average Mass

416.900

Monoisotopic Mass

416.13905

InChI

InChI=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?

InChIKey

BFKHRJFETIBYAU-UNTXJBCESA-N

SMILES

ClC1=C2C(=COC(=C2)/C=C/C(=CC(CC)C)C)C3C(C(=O)C)C(OC3(C1=O)C)=O

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: PubMed

ChEBI Ontology
Outgoing	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