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Substance Name: Aflatoxin B1 9-chloride
RN: 64398-29-4
InChIKey: PERVHTWSYVCZLN-MIOCFURKSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C17-H13-Cl-O7

Molecular Weight

  • 364.7357
 
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Names and Synonyms

Results Name

  • Aflatoxin B1 9-chloride

Synonym

  • Aflatoxin B1 9-chloride

Systematic Name

  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-9-chloro-8-hydroxy-4-methoxy-

Registry Numbers

CAS Registry Number

  • 64398-29-4

System Generated Number

  • 0064398294

Structure Descriptors

InChI

1S/C17H13ClO7/c1-22-7-4-8-11(12-13(18)16(21)25-17(12)23-8)14-10(7)5-2-3-6(19)9(5)15(20)24-14/h4,12-13,16-17,21H,2-3H2,1H3/t12-,13?,16?,17+/m1/s1

InChIKey

PERVHTWSYVCZLN-MIOCFURKSA-N

Smiles

COc1cc2O[C@H]3OC(O)C(Cl)[C@H]3c2c4OC(=O)C5=C(CCC5=O)c14