Search MNXref
 Feedback

Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside

MNXM168959 is deprecated and here replaced by MNXM1107971
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107971 Image of MNXM1107971
referencelipidmapsM:LMPK12112241
formulaC33H40O22
global charge0
mol weight788.661
InChIKeyIQBMWEYFKNVACH-WYXVZEBFSA-N
InChIInChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=CC(O)=CC(O)=C12
MNX internals
InChI (mnx)InChI=1/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1 Image of MNXM1107971
SMILES (mnx)[CH:1]1=[CH:2][C:11]([OH:38])=[C:12]([OH:39])[CH:3]=[C:9]1[C:27]1=[C:28]([O:53][C@H:32]2[C@H:30]([O:55][C@H:33]3[C@H:29]([O:54][C@H:31]4[C@H:26]([OH:48])[C@@H:23]([OH:45])[C@H:19]([OH:41])[C@@H:15]([CH2:6][OH:34])[O:50]4)[C@@H:24]([OH:46])[C@@H:20]([OH:42])[C@@H:17]([CH2:8][OH:36])[O:52]3)[C@@H:25]([OH:47])[C@H:21]([OH:43])[C@@H:16]([CH2:7][OH:35])[O:51]2)[C:22](=[O:44])[C:18]2=[C:13]([OH:40])[CH:4]=[C:10]([OH:37])[CH:5]=[C:14]2[O:49]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

lipidmaps:LMPK12112241
lipidmapsM:LMPK12112241
IQBMWEYFKNVACH-WYXVZEBFSA-N 		Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside

CHEBI:191810
chebi:191810
IQBMWEYFKNVACH-YJAOKHJISA-N 		Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
3-[(2S,4S,5S)-3-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
hmdb:HMDB0030414
IQBMWEYFKNVACH-UHFFFAOYSA-N 		Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

hmdb:HMDB30414 		secondary/obsolete/fantasy identifier