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CHEBI:189949 - N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)propanimidic acid

ChEBI IDCHEBI:189949
ChEBI NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)propanimidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO5
Net Charge0
Average Mass359.422
Monoisotopic Mass359.17327
SMILESCOc1ccc(CCC(=O)NCCc2ccc(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H25NO5/c1-24-17-7-4-14(12-16(17)22)6-9-20(23)21-11-10-15-5-8-18(25-2)19(13-15)26-3/h4-5,7-8,12-13,22H,6,9-11H2,1-3H3,(H,21,23)
InChIKeyLWHXZVRTKCUGPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)propanimidic acid (CHEBI:189949) is a methoxybenzenes (CHEBI:51683)
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)propanimidic acid (CHEBI:189949) is a phenols (CHEBI:33853)
IUPAC Name 
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)propanamide
Manual XrefsDatabases
74853856ChemSpider
HMDB0135480HMDB