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CHEBI:213214 - Isochromophilone XI

ChEBI IDCHEBI:213214
ChEBI NameIsochromophilone XI
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29ClO8
Net Charge0
Average Mass492.952
Monoisotopic Mass492.15510
SMILESCCC(C)/C=C(\C)C=CC1=CC2=C(Cl)C(=O)C(C)(OC(=O)/C=C(\C)CC(=O)O)C(=O)C2(O)CO1
InChIInChI=1S/C25H29ClO8/c1-6-14(2)9-15(3)7-8-17-12-18-21(26)22(30)24(5,23(31)25(18,32)13-33-17)34-20(29)11-16(4)10-19(27)28/h7-9,11-12,14,32H,6,10,13H2,1-5H3,(H,27,28)/b8-7?,15-9+,16-11+
InChIKeyVMNQERFVALEMDE-LPZQESTRSA-N
Species of MetaboliteComponentSourceComments
Bartalinia (ncbitaxon:162405) - PubMed (23481677)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Isochromophilone XI (CHEBI:213214) is a azaphilone (CHEBI:50941)
IUPAC Name 
(E)-5-[[5-chloro-3-[(3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl]oxy]-3-methyl-5-oxopent-3-enoic acid
Manual XrefsDatabases
78443696ChemSpider