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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 6-[3-(2-carboxyeth-1-en-1-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:168869
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H18O10
Net Charge 0
Average Mass 370.310
Monoisotopic Mass 370.09000
InChI InChI=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+
InChIKey WCACFLKLXRLYOM-NSCUHMNNSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC(=CC(OC)=C2)/C=C/C(O)=O)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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