Formononetin-7-O-β-D-glucoside-6"-O-malonate

CAS Registry Number®

34232-16-1
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CAS Name

Formononetin-7-O-β-D-glucoside-6"-O-malonate

Molecular Formula

C25H24O12

Molecular Mass

516.45

Cite this Page

Formononetin-7-O-β-D-glucoside-6"-O-malonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34232-16-1 (retrieved 2024-05-21) (CAS RN: 34232-16-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1

InChIKey

InChIKey=RDTAGQKYPGLCBK-GOZZSVHWSA-N

SMILES

O=C1C=2C(=CC(O[C@@H]3O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC2)OC=C1C4=CC=C(OC)C=C4

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC=C3C(=O)C(=COC3=C2)C=4C=CC(OC)=CC4)C(O)C(O)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-methoxyphenyl)-
  • Ononin, 6′-(hydrogen malonate)
  • 7-[[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Formononetin 7-O-glucoside-6′′-O-malonate
  • Formononetin 7-O-β-D-glucoside 6′′-O-malonate

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Deleted or Replaced CAS Registry Numbers

857089-49-7

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