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quercetin 3-beta-gentiobioside

MNXM80268 is deprecated and here replaced by MNXM1104734
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104734 Image of MNXM1104734
referencechebi:136778
formulaC27H30O17
global charge0
mol weight626.52
InChIKeyFDRQPMVGJOQVTL-DEFKTLOSSA-N
InChIInChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC(O)=C2
MNX internals
InChI (mnx)InChI=1/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 Image of MNXM1104734
SMILES (mnx)[CH:1]1=[CH:2][C:10]([OH:30])=[C:11]([OH:31])[CH:3]=[C:8]1[C:24]1=[C:25]([O:44][C@H:27]2[C@H:23]([OH:39])[C@@H:21]([OH:37])[C@H:18]([OH:34])[C@@H:15]([CH2:7][O:40][C@H:26]3[C@H:22]([OH:38])[C@@H:20]([OH:36])[C@H:17]([OH:33])[C@@H:14]([CH2:6][OH:28])[O:42]3)[O:43]2)[C:19](=[O:35])[C:16]2=[C:12]([OH:32])[CH:4]=[C:9]([OH:29])[CH:5]=[C:13]2[O:41]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:136778
chebi:136778
FDRQPMVGJOQVTL-DEFKTLOSSA-N 		quercetin 3-beta-gentiobioside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucoside
beta-D-glucosyl-(1->6)-beta-D-glucoside
quercetin 3-gentiobioside
quercetin beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
quercetin-3-gentiobioside
hmdb:HMDB0301692
FDRQPMVGJOQVTL-DEFKTLOSSA-N 		Quercetin 3-O-diglucoside
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl b-D-glucosyl-(1->6)-b-D-glucoside
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
Quercetin 3-O-gentobioside
Quercetin 3-b-gentiobioside
Quercetin 3-beta-gentiobioside
Quercetin 3-gentiobioside
Quercetin b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside
Quercetin beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Quercetin-3-gentiobioside
b-D-Glucosyl-(1->6)-b-D-glucoside
beta-D-Glucosyl-(1->6)-beta-D-glucoside
beta-D-glucosyl-(1->6)-beta-D-glucoside

lipidmaps:LMPK12112096
lipidmapsM:LMPK12112096
FDRQPMVGJOQVTL-DEFKTLOSSA-N 		Quercetin 3-gentiobioside

CHEBI:231649
chebi:231649
FDRQPMVGJOQVTL-DEFKTLOSSA-L 		quercetin 3-beta-gentiobioside
quercetin 3-beta-gentiobioside(2-)