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CHEBI:182997 - 2-[(3-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid

ChEBI IDCHEBI:182997
ChEBI Name2-[(3-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O15
Net Charge0
Average Mass502.381
Monoisotopic Mass502.09587
SMILESCOc1cc(/C=C/C(=O)OC(C(=O)O)C(O)C(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C20H22O15/c1-32-9-6-7(3-5-10(21)34-16(19(30)31)14(25)17(26)27)2-4-8(9)33-20-13(24)11(22)12(23)15(35-20)18(28)29/h2-6,11-16,20,22-25H,1H3,(H,26,27)(H,28,29)(H,30,31)/b5-3+
InChIKeyQSOHRNNBDAPZRQ-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
ChEBI Ontology
Outgoing Relation(s)
2-[(3-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid (CHEBI:182997) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[(E)-3-[4-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-3-methoxyphenyl]prop-2-enoyl]oxy-3-hydroxybutanedioic acid