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3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside

PropertiesImage
MNX_IDMNXM101768 Image of MNXM101768
referencechebi:68963
formulaC20H30O13
global charge0
mol weight478.447
InChIKeyCKGKQISENBKOCA-FHXQZXMCSA-N
InChIInChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1
SMILESCOC1=CC(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1OC
MNX internals
InChI (mnx)InChI=1/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1 Image of MNXM101768
SMILES (mnx)[CH3:1][O:27][C:10]1=[C:16]([O:29][CH3:3])[C:11]([O:28][CH3:2])=[CH:5][C:9]([O:32][C@H:18]2[C@H:15]([OH:24])[C@@H:14]([OH:23])[C@H:13]([OH:22])[C@@H:12]([CH2:6][O:30][C@H:19]3[C@H:17]([OH:25])[C@:20]([CH2:7][OH:21])([OH:26])[CH2:8][O:31]3)[O:33]2)=[CH:4]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:68963
chebi:68963
CKGKQISENBKOCA-FHXQZXMCSA-N 		3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside
hmdb:HMDB0038714
CKGKQISENBKOCA-FHXQZXMCSA-N 		Kelampayoside A
(2R,3S,4S,5R,6S)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
3,4,5-Trimethoxyphenol 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
3,4,5-Trimethoxyphenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
Kelampayoside a

hmdb:HMDB38714 		secondary/obsolete/fantasy identifier