(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol (CHEBI:167932)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol

ChEBI ID	CHEBI:167932

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H38O12

Net Charge

Average Mass

470.512

Monoisotopic Mass

470.23633

InChI

InChI=1S/C20H38O12/c1-2-3-4-5-10(22)6-7-29-19-17(27)16(26)14(24)12(32-19)9-30-20-18(28)15(25)13(23)11(8-21)31-20/h10-28H,2-9H2,1H3

InChIKey

ODOJEOFQPWTDSS-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OCCC(O)CCCCC)COC2OC(C(O)C(O)C2O)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	(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol (CHEBI:167932) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name

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