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CHEBI:168320 - 6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside

ChEBI IDCHEBI:168320
ChEBI Name6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O12
Net Charge0
Average Mass474.459
Monoisotopic Mass474.17373
SMILESCOc1cc(/C=C/C(=O)OCC2OC(OCC(O)C(C)(O)CO)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C21H30O12/c1-21(29,10-22)15(24)9-32-20-19(28)18(27)17(26)14(33-20)8-31-16(25)6-4-11-3-5-12(23)13(7-11)30-2/h3-7,14-15,17-20,22-24,26-29H,8-10H2,1-2H3/b6-4+
InChIKeyBZWPYDSZGOMZNC-GQCTYLIASA-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-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside (CHEBI:168320) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[3,4,5-trihydroxy-6-(2,3,4-trihydroxy-3-methylbutoxy)oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0036214HMDB