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CHEBI:169495 - 6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169495
ChEBI Name6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33NO11
Net Charge0
Average Mass535.546
Monoisotopic Mass535.20536
SMILESCOc1ccc(CCNC(=O)CCc2ccc(OC)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)cc1OC
InChIInChI=1S/C26H33NO11/c1-34-16-7-5-15(12-18(16)36-3)10-11-27-20(28)9-6-14-4-8-17(35-2)19(13-14)37-26-23(31)21(29)22(30)24(38-26)25(32)33/h4-5,7-8,12-13,21-24,26,29-31H,6,9-11H2,1-3H3,(H,27,28)(H,32,33)
InChIKeyAMAFCXCOOQRTDY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169495) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135509HMDB