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CHEBI:225686 - Isochromophilone XIII

ChEBI IDCHEBI:225686
ChEBI NameIsochromophilone XIII
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22ClNO4
Net Charge0
Average Mass351.830
Monoisotopic Mass351.12374
SMILESCC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)C(=O)C2=CN1CCO
InChIInChI=1S/C18H22ClNO4/c1-4-11(2)5-6-12-9-13-14(10-20(12)7-8-21)16(22)18(3,24)17(23)15(13)19/h5-6,9-11,21,24H,4,7-8H2,1-3H3/b6-5+/t11-,18-/m0/s1
InChIKeyUBEZPANUWOHMOG-RNMACCOLSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1016/j.tetlet.2012.11.084)
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 XIII (CHEBI:225686) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7S)-5-chloro-7-hydroxy-2-(2-hydroxyethyl)-7-methyl-3-[(E,3S)-3-methylpent-1-enyl]isoquinoline-6,8-dione
Manual XrefsDatabases
78442741ChemSpider