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quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside

PropertiesImage
MNX_IDMNXM165097 Image of MNXM165097
referencechebi:144438
formulaC27H29O17
global charge-1
mol weight625.512
InChIKeyRDUAJIJVNHKTQC-UJECXLDQSA-M
InChIInChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/p-1/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/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(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2
MNX internals
InChI (mnx)InChI=1/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1 Image of MNXM165097
SMILES (mnx)[CH:1]1=[CH:2][C:10]([OH:31])=[C:11]([OH:32])[CH:3]=[C:8]1[C:23]1=[C:24]([O:43][C@H:27]2[C@H:25]([O:44][C@H:26]3[C@H:22]([OH:39])[C@@H:20]([OH:37])[C@H:17]([OH:34])[C@@H:14]([CH2:6][OH:28])[O:41]3)[C@@H:21]([OH:38])[C@H:18]([OH:35])[C@@H:15]([CH2:7][OH:29])[O:42]2)[C:19](=[O:36])[C:16]2=[C:12]([OH:33])[CH:4]=[C:9]([OH:30])[CH:5]=[C:13]2[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144438
chebi:144438
RDUAJIJVNHKTQC-UJECXLDQSA-M 		quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromen-7-olate
quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside(1-)

seed.compound:cpd09286
seedM:cpd09286
RDUAJIJVNHKTQC-UJECXLDQSA-L 		QUOSP
Baimaside
Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Quercetin 3-O-sophoroside
Quercetin 3-beta-D-sophoroside
baimaside
quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
quercetin 3-O-sophoroside
quercetin 3-o-sophoroside
quercetin diglucoside

kegg.compound:C12667
keggC:C12667
RDUAJIJVNHKTQC-UJECXLDQSA-N 		Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Baimaside
QUOSP
Quercetin 3-O-sophoroside
Quercetin 3-beta-D-sophoroside

lipidmaps:LMPK12112094
lipidmapsM:LMPK12112094
RDUAJIJVNHKTQC-UJECXLDQSA-N 		Quercetin 3-sophoroside

CHEBI:32082
chebi:32082
RDUAJIJVNHKTQC-UJECXLDQSA-N 		quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Baimaside
QUOSP
Quercetin 3-O-sophoroside
Quercetin 3-beta-D-sophoroside

metacyc.compound:CPD-14849
metacycM:CPD-14849
RDUAJIJVNHKTQC-UJECXLDQSA-N 		quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
QUOSP
baimaside
quercetin 3-O-beta-D-
quercetin 3-O-sophoroside
quercetin diglucoside

keggC:M_C12667
seedM:M_cpd09286 		secondary/obsolete/fantasy identifier