3,7-Dimethyl-5-octene-1,7-diol 1-glucoside (CHEBI:168941)

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CHEBI:168941 - 3,7-Dimethyl-5-octene-1,7-diol 1-glucoside

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ChEBI ID	CHEBI:168941
ChEBI Name	3,7-Dimethyl-5-octene-1,7-diol 1-glucoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H30O7
Net Charge	0
Average Mass	334.409
Monoisotopic Mass	334.19915
SMILES	CC(C/C=C/C(C)(C)O)CCOC1OC(CO)C(O)C(O)C1O
InChI	InChI=1S/C16H30O7/c1-10(5-4-7-16(2,3)21)6-8-22-15-14(20)13(19)12(18)11(9-17)23-15/h4,7,10-15,17-21H,5-6,8-9H2,1-3H3/b7-4+
InChIKey	ZCDKJIRLFSPIQI-QPJJXVBHSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	3,7-Dimethyl-5-octene-1,7-diol 1-glucoside (CHEBI:168941) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name
2-[(E)-7-hydroxy-3,7-dimethyloct-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Manual Xrefs	Databases
HMDB0034771	HMDB