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CHEBI:183008 - 6-[(3-carboxy-3-hydroxy-2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:183008
ChEBI Name6-[(3-carboxy-3-hydroxy-2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O15
Net Charge0
Average Mass502.381
Monoisotopic Mass502.09587
SMILESCOc1cc(/C=C/C(=O)OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(=O)O)ccc1O
InChIInChI=1S/C20H22O15/c1-32-9-6-7(2-4-8(9)21)3-5-10(22)33-16(14(26)17(27)28)19(31)35-20-13(25)11(23)12(24)15(34-20)18(29)30/h2-6,11-16,20-21,23-26H,1H3,(H,27,28)(H,29,30)/b5-3+
InChIKeyBGKRYWQFWGZKSG-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
ChEBI Ontology
Outgoing Relation(s)
6-[(3-carboxy-3-hydroxy-2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:183008) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[3-carboxy-3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid