CHEBI:168079 - 6-(4-ethenyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-(4-ethenyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:168079
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O9
Net Charge 0
Average Mass 342.300
Monoisotopic Mass 342.09508
InChI InChI=1S/C15H18O9/c1-3-6-4-8(22-2)9(5-7(6)16)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h3-5,10-13,15-19H,1H2,2H3,(H,20,21)
InChIKey LGOGKRRBMDGQQC-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C(O)=C2)C=C)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-(4-ethenyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168079) is a glycoside (CHEBI:24400)
IUPAC Name
6-(4-ethenyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0128039 HMDB
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