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

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ChEBI Name 6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside
ChEBI ID CHEBI:168320
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O12
Net Charge 0
Average Mass 474.459
Monoisotopic Mass 474.17373
InChI InChI=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+
InChIKey BZWPYDSZGOMZNC-GQCTYLIASA-N
SMILES O1C(C(O)C(O)C(O)C1OCC(O)C(O)(CO)C)COC(=O)/C=C/C2=CC(OC)=C(O)C=C2
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-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 Xref Database
HMDB0036214 HMDB
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