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Substance Name: Frangulin A
RN: 69686-05-1
InChIKey: DTTVUKLWJFJOHO-NXTHJCGOSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H20-O9

Molecular Weight

  • 416.38
 
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Names and Synonyms

Results Name

  • Frangulin A

Synonyms

  • 3-((6-Deoxy-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methyl-9,10-anthracenedione
  • EINECS 274-082-3
  • Frangulin A

Systematic Names

  • 3-((6-Deoxy-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methylanthraquinone
  • 9,10-Anthracenedione, 3-((6-deoxy-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methyl-

Registry Numbers

CAS Registry Number

  • 69686-05-1

System Generated Number

  • 0069686051

Structure Descriptors

InChI

1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21?/m0/s1

InChIKey

DTTVUKLWJFJOHO-NXTHJCGOSA-N

Smiles

c1(cc(cc2C(c3cc(cc(c3C(c12)=O)O)C)=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)O