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CHEBI:168430 - Pandamarilactam 3x

ChEBI IDCHEBI:168430
ChEBI NamePandamarilactam 3x
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO3
Net Charge0
Average Mass235.283
Monoisotopic Mass235.12084
SMILESCC1=C/C(=C\CCCN2CCCC2=O)OC1=O
InChIInChI=1S/C13H17NO3/c1-10-9-11(17-13(10)16)5-2-3-7-14-8-4-6-12(14)15/h5,9H,2-4,6-8H2,1H3/b11-5+
InChIKeyAEEIFNXEUWFZED-VZUCSPMQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Pandamarilactam 3x (CHEBI:168430) is a butenolide (CHEBI:50523)
IUPAC Name 
1-[(4E)-4-(4-methyl-5-oxouran-2-ylidene)butyl]pyrrolidin-2-one
Manual XrefsDatabases
HMDB0033610HMDB
28569594ChemSpider