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CHEBI:223500 - Pestallic acid G

ChEBI IDCHEBI:223500
ChEBI NamePestallic acid G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13NO3
Net Charge0
Average Mass231.251
Monoisotopic Mass231.08954
SMILESC/C(=C\CC(=O)O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C13H13NO3/c1-8(2-5-13(15)16)12-7-9-6-10(14)3-4-11(9)17-12/h2-4,6-7H,5,14H2,1H3,(H,15,16)/b8-2+
InChIKeyBKGWWBGUPZYSPX-KRXBUXKQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (32286514)
ChEBI Ontology
Outgoing Relation(s)
Pestallic acid G (CHEBI:223500) is a benzofurans (CHEBI:35259)
IUPAC Name 
(E)-4-(5-amino-1-benzouran-2-yl)pent-3-enoic acid
Manual XrefsDatabases
95893885ChemSpider