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

PropertiesImage
MNX_IDMNXM119942 Image of MNXM119942
referencechebi:167973
formulaC19H34O12
global charge0
mol weight454.469
InChIKeyMLIAQAVEASULJH-UHFFFAOYSA-N
InChIInChI=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
SMILESCCCCOC(=O)CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/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/t9?,10?,11?,13?,14?,15?,16?,17?,18?,19? Image of MNXM119942
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][O:27][C:12]([CH2:6][CH:9]([CH3:2])[O:30][CH:19]1[CH:17]([OH:26])[CH:15]([OH:24])[CH:14]([OH:23])[CH:11]([CH2:8][O:29][CH:18]2[CH:16]([OH:25])[CH:13]([OH:22])[CH:10]([OH:20])[CH2:7][O:28]2)[O:31]1)=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167973
chebi:167973
MLIAQAVEASULJH-UHFFFAOYSA-N 		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
MLIAQAVEASULJH-UHFFFAOYSA-N 		Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]
Butyl (R)-3-hydroxybutyric acid
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