Phenethyl rutinoside (CHEBI:167920)

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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	Phenethyl rutinoside

ChEBI ID	CHEBI:167920

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O10

Net Charge

Average Mass

430.450

Monoisotopic Mass

430.18390

InChI

InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3

InChIKey

OKUGUNDXBGUFPA-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OCCC2=CC=CC=C2)COC3OC(C(O)C(O)C3O)C

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	Phenethyl rutinoside (CHEBI:167920) is a glycoside (CHEBI:24400)

IUPAC Name

2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol