EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184858 - 3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]propanimidic acid

ChEBI IDCHEBI:184858
ChEBI Name3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]propanimidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO6
Net Charge0
Average Mass375.421
Monoisotopic Mass375.16819
SMILESCOC1=CC(O)(CCNC(=O)CCc2ccc(OC)c(OC)c2)C=CC1=O
InChIInChI=1S/C20H25NO6/c1-25-16-6-4-14(12-17(16)26-2)5-7-19(23)21-11-10-20(24)9-8-15(22)18(13-20)27-3/h4,6,8-9,12-13,24H,5,7,10-11H2,1-3H3,(H,21,23)
InChIKeyBNQYNYAUPJCASI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]propanimidic acid (CHEBI:184858) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]propanamide
Manual XrefsDatabases
HMDB0135484HMDB
74853860ChemSpider