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Daidzin

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For Research Use Only | Not For Clinical Use
CATAPS552669
CAS552-66-9
Structure
MDL NumberMFCD00017466
SynonymsDaidzein 7-glucoside, NPI 031D, Daidzein 7-O-glucoside, 7,4'-Dihydroxyisoflavone 7-glucoside, 7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Daidzoside,7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Daidzin (6CI,7CI,8CI)
IUPAC Name3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight416.38
Molecular FormulaC21H20O9
Canonical SMILESOC[C@H]1O[C@@H](Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChI KeyKYQZWONCHDNPDP-QNDFHXLGSA-N
REAXYS Number59741
Accurate Mass416.1107
FormatNeat
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