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CHEBI:210830 - (3E)-4-[3-(2-hydroxyethyl)-1H-indol-5-yl]but-3-en-2-one

ChEBI IDCHEBI:210830
ChEBI Name(3E)-4-[3-(2-hydroxyethyl)-1H-indol-5-yl]but-3-en-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15NO2
Net Charge0
Average Mass229.279
Monoisotopic Mass229.11028
SMILESCC(=O)/C=C/c1ccc2ncc(CCO)c2c1
InChIInChI=1S/C14H15NO2/c1-10(17)2-3-11-4-5-14-13(8-11)12(6-7-16)9-15-14/h2-5,8-9,15-16H,6-7H2,1H3/b3-2+
InChIKeyWVZBZDMTKRSQSU-NSCUHMNNSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes capillaceus (ncbitaxon:76756) - PubMed (24697522)
ChEBI Ontology
Outgoing Relation(s)
(3E)-4-[3-(2-hydroxyethyl)-1H-indol-5-yl]but-3-en-2-one (CHEBI:210830) has functional parent cinnamic acid (CHEBI:27386)
(3E)-4-[3-(2-hydroxyethyl)-1H-indol-5-yl]but-3-en-2-one (CHEBI:210830) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(E)-4-[3-(2-hydroxyethyl)-1H-indol-5-yl]but-3-en-2-one
Manual XrefsDatabases
34251944ChemSpider