Butyl 3-O-beta-D-glucopyranosyl-butanoate (CHEBI:168530)

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CHEBI:168530 - Butyl 3-O-beta-D-glucopyranosyl-butanoate

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ChEBI ID	CHEBI:168530
ChEBI Name	Butyl 3-O-beta-D-glucopyranosyl-butanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H26O8
Net Charge	0
Average Mass	322.354
Monoisotopic Mass	322.16277
SMILES	CCCCOC(=O)CC(C)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
InChI	InChI=1S/C14H26O8/c1-3-4-5-20-10(16)6-8(2)21-14-13(19)12(18)11(17)9(7-15)22-14/h8-9,11-15,17-19H,3-7H2,1-2H3/t8?,9?,11-,12?,13?,14-/m1/s1
InChIKey	YUPCLHHTUNDMAN-JZSHJRBHSA-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)
	Butyl 3-O-beta-D-glucopyranosyl-butanoate (CHEBI:168530) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name
butyl 3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

Manual Xrefs	Databases
LMFA13010043	LIPID MAPS