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CHEBI:181618 - 3-(2,4,5-Trimethoxy-phenyl)-propionic acid

ChEBI IDCHEBI:181618
ChEBI Name3-(2,4,5-Trimethoxy-phenyl)-propionic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCOc1cc(OC)c(OC)cc1CCC(=O)O
InChIInChI=1S/C12H16O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyUGHPWKLKDZLPNM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(2,4,5-Trimethoxy-phenyl)-propionic acid (CHEBI:181618) is a benzenes (CHEBI:22712)
3-(2,4,5-Trimethoxy-phenyl)-propionic acid (CHEBI:181618) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-(2,4,5-trimethoxyphenyl)propanoic acid
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