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Substance Name: Malonyldaidzin
RN: 124590-31-4
UNII: 54CE6OWE7A
InChIKey: MTXMHWSVSZKYBT-ASDZUOGYSA-N

Molecular Formula

  • C24-H22-O12

Molecular Weight

  • 502.4258
 
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Names and Synonyms

Name of Substance

  • Malonyldaidzin

Synonyms

  • 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-8-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
  • 6''-o-Malonyldaidzin
  • Daidzin 6''-o-malonate
  • Malonyl daidzin (constituent of soy isoflavones) [DSC]
  • Malonyldaidzin
  • Malonyldaidzin, (-)-
  • UNII-54CE6OWE7A

Registry Numbers

CAS Registry Number

  • 124590-31-4

FDA UNII

  • 54CE6OWE7A

System Generated Number

  • 0124590314

Structure Descriptors

InChI

1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1

InChIKey

MTXMHWSVSZKYBT-ASDZUOGYSA-N

Smiles

c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O