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b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside

PropertiesImage
MNX_IDMNXM119600 Image of MNXM119600
referencechebi:172700
formulaC21H28O12
global charge0
mol weight472.443
InChIKeyASHAUBLELZYXKD-GASGSQLSSA-N
InChIInChI=1S/C21H28O12/c22-8-12-16(26)19(29)21(10-23,32-12)33-20-18(28)17(27)15(25)13(31-20)9-30-14(24)7-6-11-4-2-1-3-5-11/h1-7,12-13,15-20,22-23,25-29H,8-10H2/b7-6+/t12-,13+,15+,16-,17-,18+,19+,20+,21+/m0/s1
SMILESO=C(/C=C/C1=CC=CC=C1)OC[C@H]1O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C21H28O12/c22-8-12-16(26)19(29)21(10-23,32-12)33-20-18(28)17(27)15(25)13(31-20)9-30-14(24)7-6-11-4-2-1-3-5-11/h1-7,12-13,15-20,22-23,25-29H,8-10H2/b7-6+/t12-,13+,15+,16-,17-,18+,19+,20+,21+/m0/s1 Image of MNXM119600
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:11](/[CH:6]=[CH:7]/[C:14](=[O:24])[O:30][CH2:9][C@@H:13]2[C@@H:15]([OH:25])[C@H:17]([OH:27])[C@@H:18]([OH:28])[C@@H:20]([O:33][C@:21]3([CH2:10][OH:23])[C@H:19]([OH:29])[C@@H:16]([OH:26])[C@H:12]([CH2:8][OH:22])[O:32]3)[O:31]2)[CH:5]=[CH:3]1
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:172700
chebi:172700
ASHAUBLELZYXKD-GASGSQLSSA-N 		b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside
[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
hmdb:HMDB0029281
ASHAUBLELZYXKD-GASGSQLSSA-N 		b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside
[(2R,3S,4S,5R,6R)-6-{[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-phenylprop-2-enoate
[(2R,3S,4S,5R,6R)-6-{[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-phenylprop-2-enoic acid
b-D-Fructofuranosyl-a-D-(6-O-(e))-feruloylglucopyranoside

hmdb:HMDB29281 		secondary/obsolete/fantasy identifier