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Antibiotic fa 2097

  • Formula: C21H22N2O8S2

  • Molecular weight: 494.50

  • Smiles: CN1C2C(SSC3(C1=O)CC45C(O4)C=CC(C5ON3C2=O)O)C6=C(C(=C(C=C6)OC)OC)O

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Antibiotic fa 2097

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Antibiotic fa 2097

  • First synonym: Fa-2097

  • Synonyms: FA-2097,81988-71-8,Antibiotic FA 2097,FA 2097,12H-8,11a-(Iminomethano)-1aH,7H-(1,2,4)dithiazepino(4,3-b)oxireno(e)(1,2)benzoxazine-7,13-dione, 4,4a,8,9-tetrahydro-4-hydroxy-9-(2-hydroxy-3,4-dimethoxyphenyl)-14-methyl-, (1aS-(1aalpha,4beta,4abeta,8alpha,9beta,11aalpha,12R*))-,12H-8,11a-(Iminomethano)-1aH,7H-(1,2,4)dithiazepino(4,3-b)oxireno(e)(1,2)benzoxazine-7,13-dione, 4,4a,8,9-tetrahydro-4-hydroxy-9-(2-hydroxy-3,4-dimethoxyphenyl)-14-methyl-, (1aS-(1aalpha,4beta,4abeta,8alpha,9beta,11aalpha,12aR*))-

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Structure

  • Smiles: CN1C2C(SSC3(C1=O)CC45C(O4)C=CC(C5ON3C2=O)O)C6=C(C(=C(C=C6)OC)OC)O

  • Isomeric smiles: CN1[C@@H]2[C@H](SS[C@@]3(C1=O)C[C@@]45[C@@H](O4)C=C[C@H]([C@@H]5ON3C2=O)O)C6=C(C(=C(C=C6)OC)OC)O

  • Inchi: InChI=1S/C21H22N2O8S2/c1-22-13-16(9-4-6-11(28-2)15(29-3)14(9)25)32-33-21(19(22)27)8-20-12(30-20)7-5-10(24)17(20)31-23(21)18(13)26/h4-7,10,12-13,16-17,24-25H,8H2,1-3H3/t10-,12+,13-,16-,17+,20+,21-/m1/s1

  • Inchikey: XOFUALCAHMHEHU-KWOIXVLLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H22N2O8S2

  • Molecular weight: 494.50

  • Monoisotopic mass: 494.08175801

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