Isochromophilone II (CHEBI:213622)

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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 II

ChEBI ID	CHEBI:213622

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H27ClO4

Net Charge

Average Mass

390.900

Monoisotopic Mass

390.15979

InChI

InChI=1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9?

InChIKey

QEPMTPAOVMUVBT-ZOGOLRRHSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	Isochromophilone II (CHEBI:213622) is a cyclohexenones (CHEBI:48953)

IUPAC Name

5-chloro-3-[(1E)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one