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kaempferol 3,7-di-O-beta-D-glucoside

MNXM107528 is deprecated and here replaced by MNXM58617
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM58617 Image of MNXM58617
referencechebi:133224
formulaC27H30O16
global charge0
mol weight610.521
InChIKeyXFFQVRFGLSBFON-DEFKTLOSSA-N
InChIInChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/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=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2
MNX internals
InChI (mnx)InChI=1/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 Image of MNXM58617
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:30])=[CH:4][CH:2]=[C:9]1[C:24]1=[C:25]([O:43][C@H:27]2[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@H:18]([OH:33])[C@@H:15]([CH2:8][OH:29])[O:42]2)[C:19](=[O:34])[C:16]2=[C:12]([OH:31])[CH:5]=[C:11]([O:39][C@H:26]3[C@H:22]([OH:37])[C@@H:20]([OH:35])[C@H:17]([OH:32])[C@@H:14]([CH2:7][OH:28])[O:41]3)[CH:6]=[C:13]2[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133224
chebi:133224
XFFQVRFGLSBFON-DEFKTLOSSA-N 		kaempferol 3,7-di-O-beta-D-glucoside
3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
3-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
3-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
Kaempferol 3,7-O-beta-D-diglucopyranoside
Kaempferol 3,7-di-O-glucoside
Kaempferol 3,7-diglucoside
Kaempferol-3-O-beta-D-glucosyl-7-O-beta-D-glucoside
Paeonoside
kaempferol-3,7- di-beta-D-glucopyranoside

lipidmaps:LMPK12111738
lipidmapsM:LMPK12111738
XFFQVRFGLSBFON-DEFKTLOSSA-N 		Kaempferol 3,7-diglucoside

seed.compound:cpd25009
seedM:cpd25009
XFFQVRFGLSBFON-DEFKTLOSSA-M 		kaempferol 3,7-O-diglucoside

metacyc.compound:CPD-8034
metacycM:CPD-8034
XFFQVRFGLSBFON-DEFKTLOSSA-N 		kaempferol 3,7-bis-O-beta-D-glucoside

chebi:67928
seedM:M_cpd25009 		secondary/obsolete/fantasy identifier