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1-O-Cinnamoyl-beta-D-gentiobiose

PropertiesImage
MNX_IDMNXM116009 Image of MNXM116009
referencechebi:189039
formulaC21H28O12
global charge0
mol weight472.443
InChIKeyVFNCMPJNJCOCMS-VOTSOKGWSA-N
InChIInChI=1S/C21H28O12/c22-8-11-14(24)16(26)18(28)20(31-11)30-9-12-15(25)17(27)19(29)21(32-12)33-13(23)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-22,24-29H,8-9H2/b7-6+
SMILESO=C(/C=C/C1=CC=CC=C1)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C21H28O12/c22-8-11-14(24)16(26)18(28)20(31-11)30-9-12-15(25)17(27)19(29)21(32-12)33-13(23)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-22,24-29H,8-9H2/b7-6+/t11?,12?,14?,15?,16?,17?,18?,19?,20?,21? Image of MNXM116009
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:10](/[CH:6]=[CH:7]/[C:13](=[O:23])[O:33][CH:21]2[CH:19]([OH:29])[CH:17]([OH:27])[CH:15]([OH:25])[CH:12]([CH2:9][O:30][CH:20]3[CH:18]([OH:28])[CH:16]([OH:26])[CH:14]([OH:24])[CH:11]([CH2:8][OH:22])[O:31]3)[O:32]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:189039
chebi:189039
VFNCMPJNJCOCMS-VOTSOKGWSA-N 		1-O-Cinnamoyl-beta-D-gentiobiose
[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate
hmdb:HMDB0030295
VFNCMPJNJCOCMS-VOTSOKGWSA-N 		1-O-Cinnamoyl-beta-D-gentiobiose
1-O-Cinnamoyl-b-D-gentiobiose
3,4,5-Trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-phenylprop-2-enoic acid
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-phenylprop-2-enoate

hmdb:HMDB30295 		secondary/obsolete/fantasy identifier