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CHEBI:209106 - Isochromophilone D

ChEBI IDCHEBI:209106
ChEBI NameIsochromophilone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31ClO5
Net Charge0
Average Mass446.971
Monoisotopic Mass446.18600
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)O[C@@](C)(OC)[C@H](C(C)=O)[C@H]3C2=CO1
InChIInChI=1S/C25H31ClO5/c1-8-14(2)11-15(3)9-10-17-12-18-19(13-30-17)21-20(16(4)27)25(6,29-7)31-24(21,5)23(28)22(18)26/h9-14,20-21H,8H2,1-7H3/b10-9+,15-11+/t14-,20+,21+,24+,25+/m0/s1
InChIKeyHVVWQGQUCAAUGE-CAIZGLRYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (29517908)
ChEBI Ontology
Outgoing Relation(s)
Isochromophilone D (CHEBI:209106) is a ketal (CHEBI:59777)
IUPAC Name 
(6aR,8R,9S,9aS)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-8-methoxy-6a,8-dimethyl-9,9a-dihydrouro[2,3-h]isochromen-6-one
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78439053ChemSpider