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CHEBI:217001 - Pestalotiopamide B

ChEBI IDCHEBI:217001
ChEBI NamePestalotiopamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19NO5
Net Charge0
Average Mass257.286
Monoisotopic Mass257.12632
SMILESCC(=O)OCC/C(C)=C/C(=O)NCCCC(=O)O
InChIInChI=1S/C12H19NO5/c1-9(5-7-18-10(2)14)8-11(15)13-6-3-4-12(16)17/h8H,3-7H2,1-2H3,(H,13,15)(H,16,17)/b9-8+
InChIKeyMSKRLHVJEKWHJI-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.tetlet.2010.10.131)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopamide B (CHEBI:217001) has functional parent γ-amino acid (CHEBI:33707)
Pestalotiopamide B (CHEBI:217001) is a organonitrogen compound (CHEBI:35352)
Pestalotiopamide B (CHEBI:217001) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[[(E)-5-acetyloxy-3-methylpent-2-enoyl]amino]butanoic acid
Manual XrefsDatabases
27026294ChemSpider