CHEBI:203062 - Isochromophilone VIII

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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 VIII
ChEBI ID CHEBI:203062
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H27ClO5
Net Charge 0
Average Mass 394.890
Monoisotopic Mass 394.15470
InChI InChI=1S/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12?,17-,20-,21+/m1/s1
InChIKey MMOJJYPBNVVCGY-LYLCUPBQSA-N
SMILES ClC=1C(=O)[C@](O)([C@H](OC(=O)C)[C@H]2C1C=C(OC2)/C=C/C(=C/C(CC)C)/C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Isochromophilone VIII (CHEBI:203062) is a cyclohexenones (CHEBI:48953)
IUPAC Name
[(7R,8R,8aS)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate
Manual Xref Database
8561435 ChemSpider
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