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Substance Name: Aflatoxin Q1
RN: 52819-96-2
InChIKey: GYNOTJLCULOEIM-XKRJZGAWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C17-H12-O7

Molecular Weight

  • 328.2748
 
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Names and Synonyms

Name of Substance

  • Aflatoxin Q1

Synonyms

  • Aflatoxin Q1
  • CCRIS 2010

Systematic Names

  • Aflatoxin Q1
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3S,6aR,9aS)-
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3S-(3-alpha,6a-alpha,9a-alpha))-

Registry Numbers

CAS Registry Number

  • 52819-96-2

System Generated Number

  • 0052819962

Structure Descriptors

InChI

1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1

InChIKey

GYNOTJLCULOEIM-XKRJZGAWSA-N

Smiles

COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@@H](O)CC5=O)c14