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Substance Name: Ochratoxin TC
RN: 53011-68-0
InChIKey: JVDWOALSRIJPOP-KLLZUTDZSA-N

Molecular Formula

  • C22-H22-Cl-N-O7

Molecular Weight

  • 447.869
 
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Names and Synonyms

Results Name

  • Ochratoxin TC

Synonym

  • Ochratoxin TC

Systematic Name

  • L-Tyrosine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 53011-68-0

System Generated Number

  • 0053011680

Structure Descriptors

InChI

1S/C22H22ClNO7/c1-3-30-21(28)17(9-12-4-6-13(25)7-5-12)24-20(27)15-10-16(23)14-8-11(2)31-22(29)18(14)19(15)26/h4-7,10-11,17,25-26H,3,8-9H2,1-2H3,(H,24,27)/t11?,17-/m0/s1

InChIKey

JVDWOALSRIJPOP-KLLZUTDZSA-N

Smiles

C([C@@H](NC(=O)c1c(c2c(C[C@@H](OC2=O)C)c(c1)Cl)O)Cc1ccc(O)cc1)(=O)OCC