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Substance Name: (4S)-4-Hydroxyochratoxin A
RN: 82598-16-1
InChIKey: BCZIFDALJWPHTK-SULUZNBOSA-N

Molecular Weight

  • 419.815
 
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Names and Synonyms

Results Name

  • (4S)-4-Hydroxyochratoxin A

Synonyms

  • 4(S)-4-Hydroxyochratoxin A
  • 4(S)-4-Hydroxyochratoxin-A

Systematic Name

  • L-Phenylalanine, N-((5-chloro-3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (3R-trans)-

Registry Numbers

CAS Registry Number

  • 82598-16-1

System Generated Number

  • 0082598161

Structure Descriptors

InChI

1S/C20H18ClNO7/c1-9-16(23)14-12(21)8-11(17(24)15(14)20(28)29-9)18(25)22-13(19(26)27)7-10-5-3-2-4-6-10/h2-6,8-9,13,16,23-24H,7H2,1H3,(H,22,25)(H,26,27)/t9-,13+,16-/m1/s1

InChIKey

BCZIFDALJWPHTK-SULUZNBOSA-N

Smiles

C([C@@H](NC(=O)c1c(c2c([C@@H]([C@H](OC2=O)C)O)c(c1)Cl)O)Cc1ccccc1)(=O)O