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A1EGY

Summary
Name:Genistin
Synonyms:Genistein 7-O-glucoside
Formula:C21 H20 O10
Formal charge:0
Formula weight:432.378 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
InChIKeyInChI1.06ZCOLJUOHXJRHDI-CMWLGVBASA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O

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PDB entries from 2026-01-21

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