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CHEBI:200128 - Isochromophilone X

ChEBI IDCHEBI:200128
ChEBI NameIsochromophilone X
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32ClNO7
Net Charge0
Average Mass518.006
Monoisotopic Mass517.18673
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=CN1CCO
InChIInChI=1S/C27H32ClNO7/c1-6-16(2)11-17(3)7-8-19-14-20-21(15-29(19)9-10-30)25(34)27(5,26(35)24(20)28)36-23(33)13-18(4)12-22(31)32/h7-8,11,13-16,30H,6,9-10,12H2,1-5H3,(H,31,32)/b8-7?,17-11+,18-13+/t16?,27-/m0/s1
InChIKeyZRVRVSKUBHAMCG-KZIBRQSFSA-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 X (CHEBI:200128) is a azaphilone (CHEBI:50941)
IUPAC Name 
(E)-5-[(7S)-5-chloro-3-[(3E)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl]oxy-3-methyl-5-oxopent-3-enoic acid
Manual XrefsDatabases
78440070ChemSpider