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CHEBI:209117 - Isochromophilone F

ChEBI IDCHEBI:209117
ChEBI NameIsochromophilone F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25ClO7
Net Charge0
Average Mass448.899
Monoisotopic Mass448.12888
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)/C(=C(\C)O)[C@]3(O)[C@@]23O[C@H]3O1
InChIInChI=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
InChIKeyFILBQRYQERSYOW-ZYGXBZQYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (29517908)
ChEBI Ontology
Outgoing Relation(s)
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
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65323286ChemSpider