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beta-D-Fructofuranosyl 4-O-decanoyl-alpha-D-glucopyranoside

PropertiesImage
MNX_IDMNXM683061 Image of MNXM683061
referencechebi:177474
formulaC22H40O12
global charge0
mol weight496.55
InChIKeyQKZDOFMBLQQMTH-FSWVCPJQSA-N
InChIInChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-15(26)32-19-14(11-24)31-21(18(29)17(19)28)34-22(12-25)20(30)16(27)13(10-23)33-22/h13-14,16-21,23-25,27-30H,2-12H2,1H3/t13-,14-,16-,17-,18-,19-,20+,21-,22+/m1/s1
SMILESCCCCCCCCCC(=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/C22H40O12/c1-2-3-4-5-6-7-8-9-15(26)32-19-14(11-24)31-21(18(29)17(19)28)34-22(12-25)20(30)16(27)13(10-23)33-22/h13-14,16-21,23-25,27-30H,2-12H2,1H3/t13-,14-,16-,17-,18-,19-,20+,21-,22+/m1/s1 Image of MNXM683061
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:15](=[O:26])[O:32][C@@H:19]1[C@@H:14]([CH2:11][OH:24])[O:31][C@H:21]([O:34][C@@:22]2([CH2:12][OH:25])[C@@H:20]([OH:30])[C@H:16]([OH:27])[C@@H:13]([CH2:10][OH:23])[O:33]2)[C@H:18]([OH:29])[C@H:17]1[OH:28]
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:177474
chebi:177474
QKZDOFMBLQQMTH-FSWVCPJQSA-N 		beta-D-Fructofuranosyl 4-O-decanoyl-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] decanoate

metacyc.compound:CPD-19020
metacycM:CPD-19020
QKZDOFMBLQQMTH-FSWVCPJQSA-N 		4-decanoylsucrose
4-caprylsucrose

seed.compound:cpd31739
seedM:cpd31739
QKZDOFMBLQQMTH-FSWVCPJQSA-N 		sucrose mono-4-decanoate
sucrose-4-decanoate

seedM:M_cpd31739 		secondary/obsolete/fantasy identifier