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CHEBI:168757 - 6-{3,5-dihydroxy-4-[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168757
ChEBI Name6-{3,5-dihydroxy-4-[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O12
Net Charge0
Average Mass482.438
Monoisotopic Mass482.14243
SMILESCOc1cc(CC(O)Cc2c(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2O)ccc1O
InChIInChI=1S/C22H26O12/c1-32-16-5-9(2-3-13(16)24)4-10(23)6-12-14(25)7-11(8-15(12)26)33-22-19(29)17(27)18(28)20(34-22)21(30)31/h2-3,5,7-8,10,17-20,22-29H,4,6H2,1H3,(H,30,31)
InChIKeyGMHSQOPZLUTSAK-UHFFFAOYSA-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-{3,5-dihydroxy-4-[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168757) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3,5-dihydroxy-4-[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127770HMDB