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CHEBI:215819 - Pestalamine A

ChEBI IDCHEBI:215819
ChEBI NamePestalamine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO6
Net Charge0
Average Mass387.432
Monoisotopic Mass387.16819
SMILESCCCCOC(=O)c1c(N)cccc1/C=C\[C@@H](O)[C@@H](C)OC(=O)c1ccco1
InChIInChI=1S/C21H25NO6/c1-3-4-12-27-21(25)19-15(7-5-8-16(19)22)10-11-17(23)14(2)28-20(24)18-9-6-13-26-18/h5-11,13-14,17,23H,3-4,12,22H2,1-2H3/b11-10-/t14-,17-/m1/s1
InChIKeyOQSXRPBCVKZSHQ-JGYUQMGLSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.phytol.2013.09.010)
ChEBI Ontology
Outgoing Relation(s)
Pestalamine A (CHEBI:215819) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(Z,2R,3R)-5-(3-amino-2-butoxycarbonylphenyl)-3-hydroxypent-4-en-2-yl] uran-2-carboxylate
Manual XrefsDatabases
78438096ChemSpider