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Substance Name: Mitorubrinic acid, (R)-
RN: 34695-99-3
UNII: 6WSO5HRQ3O
InChIKey: ZJIWQCFXEQSFGR-YEFOHOTDSA-N

Molecular Formula

  • C21-H16-O9

Molecular Weight

  • 412.3484
 
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Names and Synonyms

Name of Substance

  • Mitorubrinic acid, (R)-

Synonyms

  • (-)-Mitorubrinic acid
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (7R)-3-((1E)-2-carboxyethenyl)-7,8-dihydro-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl ester
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-(2-carboxyethenyl)-7,8-dihydro-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl ester, (R-(E))-
  • Mitorubrinic acid, (-)-
  • Mitorubrinic acid, (R)-
  • UNII-6WSO5HRQ3O

Registry Numbers

CAS Registry Number

  • 34695-99-3

FDA UNII

  • 6WSO5HRQ3O

System Generated Number

  • 0034695993

Structure Descriptors

InChI

1S/C21H16O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-9,22-23H,1-2H3,(H,25,26)/b4-3+/t21-/m1/s1

InChIKey

ZJIWQCFXEQSFGR-YEFOHOTDSA-N

Smiles

Cc1cc(O)cc(O)c1C(=O)O[C@]2(C)C(=O)C=C3C=C(OC=C3C2=O)\C=C\C(=O)O