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CHEBI:189202 - Pestalotiopamide A

ChEBI IDCHEBI:189202
ChEBI NamePestalotiopamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H13NO3
Net Charge0
Average Mass171.196
Monoisotopic Mass171.08954
SMILESCC(=O)OCC/C(C)=C/C(N)=O
InChIInChI=1S/C8H13NO3/c1-6(5-8(9)11)3-4-12-7(2)10/h5H,3-4H2,1-2H3,(H2,9,11)/b6-5+
InChIKeyUBRLOVCOJLAYPQ-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopamide A (CHEBI:189202) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(E)-5-amino-3-methyl-5-oxopent-3-enyl] acetate
Manual XrefsDatabases
27026293ChemSpider