2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside (CHEBI:168717)

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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	2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside

ChEBI ID	CHEBI:168717

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H30O7

Net Charge

Average Mass

334.409

Monoisotopic Mass

334.19915

InChI

InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3

InChIKey

BTUZVFURXAOVBC-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OCC(CCCC(O)(C)C=C)C)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	2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside (CHEBI:168717) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name

2-(6-hydroxy-2,6-dimethyloct-7-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol