CHEBI:209117 - Isochromophilone F

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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 F
ChEBI ID CHEBI:209117
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H25ClO7
Net Charge 0
Average Mass 448.900
Monoisotopic Mass 448.12888
InChI InChI=1S/C23H25ClO7/c1-6-11(2)9-12(3)7-8-14-10-15-17(24)18(26)21(5)23(28,22(15)20(29-14)31-22)16(13(4)25)19(27)30-21/h7-11,20,25,28H,6H2,1-5H3/b8-7+,12-9+,16-13-/t11-,20+,21-,22+,23+/m0/s1
InChIKey FILBQRYQERSYOW-ZYGXBZQYSA-N
SMILES ClC=1C(=O)[C@@]2(OC(=O)\C(\[C@]2(O)[C@@]34C1C=C(O[C@@H]3O4)/C=C/C(=C/[C@H](CC)C)/C)=C(\O)/C)C
Metabolite of Species Details
Diaporthe (NCBI:txid36922) See: PubMed
ChEBI Ontology
Outgoing Isochromophilone F (CHEBI:209117) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1S,2S,3E,6R,13R)-8-chloro-11-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-hydroxy-3-(1-hydroxyethylidene)-6-methyl-5,12,14-trioxatetracyclo[7.5.0.01,13.02,6]tetradeca-8,10-diene-4,7-dione
Manual Xref Database
65323286 ChemSpider
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