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Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]

Properties

Image

Occurences in reactions

MNX_ID

MNXM119942

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₉H₃₄O₁₂

charge

mass

454.20503

reference

InChIKey

MLIAQAVEASULJH-UHFFFAOYSA-N

InChI

InChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3

SMILES

CCCCOC(=O)CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:167973 chebi:167973	Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] butyl 3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybutanoate
hmdb:HMDB0039214	Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] Butyl (S)-3-hydroxybutyric acid Butyl 3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]butanoic acid butyl 3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]butanoate
hmdb:HMDB39214	secondary/obsolete/fantasy identifier