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CHEBI:168915 - 1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose

ChEBI IDCHEBI:168915
ChEBI Name1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESCOc1ccc(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)c(O)c1
InChIInChI=1S/C16H20O9/c1-23-9-4-2-8(10(18)6-9)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+
InChIKeyVUSUWXXWRAWGIH-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)
1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose (CHEBI:168915) has functional parent hydroxycinnamic acid (CHEBI:24689)
1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose (CHEBI:168915) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0040866HMDB