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CHEBI:169080 - 6-[4-(2-carboxyeth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169080
ChEBI Name6-[4-(2-carboxyeth-1-en-1-yl)-2-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)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)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)/b5-3+
InChIKeyTWSIWBHKRJLZCF-HWKANZROSA-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-carboxyeth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169080) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133307HMDB