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CHEBI:209245 - Cladosporiumin J

ChEBI IDCHEBI:209245
ChEBI NameCladosporiumin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO4
Net Charge0
Average Mass251.282
Monoisotopic Mass251.11576
SMILESCC(C)=C1NC(=O)C2=C1O[C@H](CC(C)O)CC2=O
InChIInChI=1S/C13H17NO4/c1-6(2)11-12-10(13(17)14-11)9(16)5-8(18-12)4-7(3)15/h7-8,15H,4-5H2,1-3H3,(H,14,17)/t7?,8-/m1/s1
InChIKeyGQZAPSUGCBOUAP-BRFYHDHCSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (30445739)
ChEBI Ontology
Outgoing Relation(s)
Cladosporiumin J (CHEBI:209245) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R)-2-(2-hydroxypropyl)-7-propan-2-ylidene-2,3-dihydropyrano[2,3-c]pyrrole-4,5-dione
Manual XrefsDatabases
71048646ChemSpider