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M  END
> <ID>
CHEBI:133224

> <NAME>
kaempferol 3,7-di-O-beta-D-glucoside

> <DEFINITION>
A glycosyloxyflavone that is kaempferol having two β-D-glucosyl residues attached at positions O-3 and O-7. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:67928

> <SYNONYM>
Paeonoside; Kaempferol-3-O-beta-D-glucosyl-7-O-beta-D-glucoside; kaempferol-3,7- di-beta-D-glucopyranoside; Kaempferol 3,7-O-beta-D-diglucopyranoside; Kaempferol 3,7-diglucoside; Kaempferol 3,7-di-O-glucoside; 3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

> <IUPAC_NAME>
3-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 3-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside

> <FORMULA>
C27H30O16

> <MASS>
610.519

> <MONOISOTOPIC_MASS>
610.15338

> <CHARGE>
0

> <SMILES>
O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C=2C(C3=C(OC2C4=CC=C(O)C=C4)C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)C=C3O)=O

> <INCHI>
InChI=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

> <INCHIKEY>
XFFQVRFGLSBFON-DEFKTLOSSA-N

> <CAS_REGISTRY_NUMBER>
25615-14-9

> <REAXYS_REGISTRY_NUMBER>
1339818

> <CHEMIDPLUS>
25615-14-9

> <KNAPSACK_ACCESSION>
C00005182

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111738

> <METACYC_ACCESSION>
CPD-8034

> <PUBMED_CITATION>
15595414; 17666861; 22070681; 23027699; 24504864; 26434122; 19768983; 21466157

$$$$