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Substance Name: Mitorubrinic acid, (S)-
RN: 58958-07-9
UNII: 651TW1SQXH
InChIKey: ZJIWQCFXEQSFGR-SHTLVRLNSA-N

Molecular Formula

  • C21-H16-O9

Molecular Weight

  • 412.3484
 
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Names and Synonyms

Name of Substance

  • Mitorubrinic acid, (S)-

Synonyms

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (7S)-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, (S-(E))-
  • Mitorubrinic acid
  • Mitorubrinic acid, (S)-
  • UNII-651TW1SQXH

Registry Numbers

CAS Registry Number

  • 58958-07-9

FDA UNII

  • 651TW1SQXH

System Generated Number

  • 0058958079

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-/m0/s1

InChIKey

ZJIWQCFXEQSFGR-SHTLVRLNSA-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