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Substance Name: NSC408168
RN: 10163-13-0
InChIKey: QBDVYUHPWTYFNX-UHFFFAOYSA-L

Molecular Formula

  • C27-H28-O16.Cd

Molecular Weight

  • 720.9122
 
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Names and Synonyms

Results Name

  • NSC408168

Synonym

  • NSC 408168

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxyhexopyranosyl)hexopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, cadmium salt (1:1)

Registry Numbers

CAS Registry Number

  • 10163-13-0

System Generated Number

  • 0010163130

Molecular Formulas

Molecular Formula

  • C27-H28-O16.Cd

Molecular Formula Fragments

  • C27-H28-O16
  • Cd
  • COMPONENT

Structure Descriptors

InChI

1S/C27H30O16.Cd/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;/q;+2/p-2

InChIKey

QBDVYUHPWTYFNX-UHFFFAOYSA-L

Smiles

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)[O-])[O-])O)O)O)O)O)O)O.[Cd+2]