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CHEBI:211342 - Cladosporiumin E

ChEBI IDCHEBI:211342
ChEBI NameCladosporiumin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO4
Net Charge0
Average Mass251.282
Monoisotopic Mass251.11576
SMILESCC(C)=C1NC(=O)C(C(=O)/C=C/C[C@H](C)O)=C1O
InChIInChI=1S/C13H17NO4/c1-7(2)11-12(17)10(13(18)14-11)9(16)6-4-5-8(3)15/h4,6,8,15,17H,5H2,1-3H3,(H,14,18)/b6-4+/t8-/m0/s1
InChIKeyQQBDEWVAWPVHJR-JQTRYQTASA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - DOI (10.1016/j.tet.2018.04.010)
ChEBI Ontology
Outgoing Relation(s)
Cladosporiumin E (CHEBI:211342) is a enone (CHEBI:51689)
IUPAC Name 
4-hydroxy-3-[(E,5S)-5-hydroxyhex-2-enoyl]-5-propan-2-ylidenepyrrol-2-one
Manual XrefsDatabases
78441716ChemSpider