EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211346 - Cladosporiumin G

ChEBI IDCHEBI:211346
ChEBI NameCladosporiumin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19NO4
Net Charge0
Average Mass253.298
Monoisotopic Mass253.13141
SMILESCC(O)C/C=C/C(O)=C1/C(=O)N[C@@H](C(C)C)C1=O
InChIInChI=1S/C13H19NO4/c1-7(2)11-12(17)10(13(18)14-11)9(16)6-4-5-8(3)15/h4,6-8,11,15-16H,5H2,1-3H3,(H,14,18)/b6-4+,10-9-/t8?,11-/m0/s1
InChIKeyRXFBQFXEFJVRCF-KQWUZRNWSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - DOI (10.1016/j.tet.2018.04.010)
ChEBI Ontology
Outgoing Relation(s)
Cladosporiumin G (CHEBI:211346) is a pyrroline (CHEBI:23763)
IUPAC Name 
(3Z,5S)-3-[(E)-1,5-dihydroxyhex-2-enylidene]-5-propan-2-ylpyrrolidine-2,4-dione
Manual XrefsDatabases
65323333ChemSpider