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CHEBI:211334 - Cladosporiumin D

ChEBI IDCHEBI:211334
ChEBI NameCladosporiumin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19NO4
Net Charge0
Average Mass253.298
Monoisotopic Mass253.13141
SMILESCC(C)=C1NC(=O)[C@@](O)(C/C=C/CC(C)O)C1=O
InChIInChI=1S/C13H19NO4/c1-8(2)10-11(16)13(18,12(17)14-10)7-5-4-6-9(3)15/h4-5,9,15,18H,6-7H2,1-3H3,(H,14,17)/b5-4+/t9?,13-/m1/s1
InChIKeyNXCWLTILNLZQKH-HXJPCDODSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - DOI (10.1016/j.tet.2018.04.010)
ChEBI Ontology
Outgoing Relation(s)
Cladosporiumin D (CHEBI:211334) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(3R)-3-hydroxy-3-[(E)-5-hydroxyhex-2-enyl]-5-propan-2-ylidenepyrrolidine-2,4-dione
Manual XrefsDatabases
65323330ChemSpider