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beta-D-Fructofuranosyl 4-O-(2-methylbutanoyl)-alpha-D-glucopyranoside

PropertiesImage
MNX_IDMNXM683060 Image of MNXM683060
referencechebi:177560
formulaC17H30O12
global charge0
mol weight426.415
InChIKeyOQDQFFNROJYFCY-YGXGXSKESA-N
InChIInChI=1S/C17H30O12/c1-3-7(2)15(25)27-13-9(5-19)26-16(12(23)11(13)22)29-17(6-20)14(24)10(21)8(4-18)28-17/h7-14,16,18-24H,3-6H2,1-2H3/t7?,8-,9-,10-,11-,12-,13-,14+,16-,17+/m1/s1
SMILESCCC(C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H]1CO
MNX internals
InChI (mnx)InChI=1/C17H30O12/c1-3-7(2)15(25)27-13-9(5-19)26-16(12(23)11(13)22)29-17(6-20)14(24)10(21)8(4-18)28-17/h7-14,16,18-24H,3-6H2,1-2H3/t7?,8-,9-,10-,11-,12-,13-,14+,16-,17+/m1/s1 Image of MNXM683060
SMILES (mnx)[CH3:1][CH2:3][CH:7]([CH3:2])[C:15](=[O:25])[O:27][C@@H:13]1[C@@H:9]([CH2:5][OH:19])[O:26][C@H:16]([O:29][C@@:17]2([CH2:6][OH:20])[C@@H:14]([OH:24])[C@H:10]([OH:21])[C@@H:8]([CH2:4][OH:18])[O:28]2)[C@H:12]([OH:23])[C@H:11]1[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177560
chebi:177560
OQDQFFNROJYFCY-YGXGXSKESA-N 		beta-D-Fructofuranosyl 4-O-(2-methylbutanoyl)-alpha-D-glucopyranoside
[(2R,3S,4R,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 2-methylbutanoate

metacyc.compound:CPD-19019
metacycM:CPD-19019
OQDQFFNROJYFCY-YGXGXSKESA-N 		4-(2-methylbutanoyl)sucrose

seed.compound:cpd32363
seedM:cpd32363
OQDQFFNROJYFCY-YGXGXSKESA-N 		sucrose mono-4-(2-methyl)butanoate
sucrose-4-(2-methyl)butanoate

seedM:M_cpd32363 		secondary/obsolete/fantasy identifier