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CHEBI:169817 - 6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169817
ChEBI Name6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31NO11
Net Charge0
Average Mass533.530
Monoisotopic Mass533.18971
SMILESCOc1ccc(CCNC(=O)/C=C/c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(OC)c2)cc1OC
InChIInChI=1S/C26H31NO11/c1-34-16-7-4-15(13-18(16)35-2)10-11-27-20(28)9-6-14-5-8-17(19(12-14)36-3)37-26-23(31)21(29)22(30)24(38-26)25(32)33/h4-9,12-13,21-24,26,29-31H,10-11H2,1-3H3,(H,27,28)(H,32,33)/b9-6+
InChIKeyXTPQMURHIPQGIA-RMKNXTFCSA-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-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169817) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[4-[(E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid