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Substance Name: Austadiol
RN: 53043-28-0
InChIKey: QVMUHZHZYCDMAI-RYUDHWBXSA-N

Note

  • Main toxic metabolite of Aspergillus ustus.

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H12-O5

Molecular Weight

  • 236.222
 
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Names and Synonyms

Name of Substance

  • Austadiol

Synonyms

  • (7R-E)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carboxaldehyde
  • 5-18-04-00348 (Beilstein Handbook Reference)
  • Austdiol
  • Austidiol
  • BRN 1383761
  • NSC 159632

Systematic Names

  • (7R,8S)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carbaldehyde
  • 6H-2-Benzopyran-5-carboxaldehyde, 7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R-trans)-

Registry Numbers

CAS Registry Number

  • 53043-28-0

System Generated Number

  • 0053043280

Structure Descriptors

InChI

1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1

InChIKey

QVMUHZHZYCDMAI-RYUDHWBXSA-N

Smiles

C=12C([C@@H]([C@@](C)(O)C(C1C=O)=O)O)=COC(=C2)C