CHEBI:168461 - 3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid
ChEBI ID CHEBI:168461
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O9
Net Charge 0
Average Mass 316.262
Monoisotopic Mass 316.07943
InChI InChI=1S/C13H16O9/c1-20-5-3-2-4-6(7(5)14)21-13-10(17)8(15)9(16)11(22-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)
InChIKey ZCXVNAUYGLECEF-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(O)=C(OC)C=CC2)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 3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid (CHEBI:168461) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid
Manual Xref Database
HMDB0128036 HMDB
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