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CHEBI:168869 - 6-[3-(2-carboxyeth-1-en-1-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168869
ChEBI Name6-[3-(2-carboxyeth-1-en-1-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O10
Net Charge0
Average Mass370.310
Monoisotopic Mass370.09000
SMILESCOc1cc(/C=C/C(=O)O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C16H18O10/c1-24-8-4-7(2-3-10(17)18)5-9(6-8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b3-2+
InChIKeyWCACFLKLXRLYOM-NSCUHMNNSA-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-[3-(2-carboxyeth-1-en-1-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168869) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3-[(E)-2-carboxyethenyl]-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid