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

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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	1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose

ChEBI ID	CHEBI:168915

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H20O9

Net Charge

Average Mass

356.327

Monoisotopic Mass

356.11073

InChI

InChI=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+

InChIKey

VUSUWXXWRAWGIH-HWKANZROSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=C(O)C=C(OC)C=C2)CO

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	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