6′′-O-Malonyldaidzin
CAS Registry Number®
124590-31-4
No image available.
CAS Name
6′′-O-MalonyldaidzinMolecular Formula
C24H22O12Molecular Mass
502.42Cite this Page
6′′-O-Malonyldaidzin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=124590-31-4 (retrieved ) (CAS RN: 124590-31-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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
InChIKey=MTXMHWSVSZKYBT-ASDZUOGYSA-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(O)C=C4
Canonical SMILES
O=C(O)CC(=O)OCC1OC(OC2=CC=C3C(=O)C(=COC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 7-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-
- Propanedioic acid, 6′-ester with 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- 4H-1-Benzopyran-4-one, 7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-
- 7-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- 6′′-O-Malonyldaidzin
Deleted or Replaced CAS Registry Numbers
857089-52-2, 205431-87-4
