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quercetin 3,4'-di-O-beta-D-glucoside

MNXM726609 is deprecated and here replaced by MNXM1370966
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370966 Image of MNXM1370966
referencechebi:131498
formulaC27H30O17
global charge0
mol weight626.52
InChIKeyRPVIQWDFJPYNJM-DEFKTLOSSA-N
InChIInChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/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](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=CC(O)=CC(O)=C12
MNX internals
InChI (mnx)InChI=1/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/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 MNXM1370966
SMILES (mnx)[CH:1]1=[CH:2][C:12]([O:41][C@H:26]2[C@H:22]([OH:38])[C@@H:20]([OH:36])[C@H:17]([OH:33])[C@@H:14]([CH2:6][OH:28])[O:42]2)=[C:10]([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][OH:29])[O:43]2)[C:19](=[O:35])[C:16]2=[C:11]([OH:32])[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)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131498
chebi:131498
RPVIQWDFJPYNJM-DEFKTLOSSA-N 		quercetin 3,4'-di-O-beta-D-glucoside
4-[3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside
Quercetin 3,4'-di-O-beta-D-glucopyranoside
Quercetin 3,4'-diglucoside
quercetin 3,4'-O-diglucoside

lipidmaps:LMPK12112104
lipidmapsM:LMPK12112104
RPVIQWDFJPYNJM-DEFKTLOSSA-N 		Quercetin 3,4'-diglucoside
hmdb:HMDB0304730
RPVIQWDFJPYNJM-DEFKTLOSSA-N 		Quercetin 7,4'-O-diglucoside
5,7-dihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
5,7-dihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
Quercetin 3,4'-O-diglucoside
Quercetin 3,4'-di-O-b-D-glucopyranoside
Quercetin 3,4'-di-O-b-D-glucoside
Quercetin 3,4'-di-O-beta-D-glucopyranoside
Quercetin 3,4'-di-O-beta-D-glucoside
Quercetin 3,4'-di-O-glucopyranoside
Quercetin 3,4'-diglucoside
Quercetin-34'-diglucoside

sabiork.compound:27610
sabiorkM:27610
RPVIQWDFJPYNJM-DEFKTLOSSA-N 		Quercetin-3,4'-diglucoside

seed.compound:cpd32409
seedM:cpd32409
RPVIQWDFJPYNJM-DEFKTLOSSA-M 		quercetin 3,4'-O-diglucoside

metacyc.compound:CPD-14753
metacycM:CPD-14753
RPVIQWDFJPYNJM-DEFKTLOSSA-N 		quercetin 3,4'-O-diglucoside
QDG

seedM:M_cpd32409 		secondary/obsolete/fantasy identifier