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Rostratin B

  • Formula: C18H20N2O6S2

  • Molecular weight: 424.50

  • Smiles: C1CC(=O)C2CC34C(=O)N5C6C(CCC(=O)C6CC5(C(=O)N3C2C1O)SS4)O

  • Type: Epipolythiopiperazine-3,6-dione

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Rostratin B

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

Names

  • Mycotoxin name: Rostratin B

  • First synonym: None

  • Synonyms: rostratin B,CHEBI:66311,(1R,4R,5S,9S,11R,14R,15S,19S)-5,15-Dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone,(4S,4aR,6aR,7aS,11S,11aR,13aR,14aS)-4,11-dihydroxydecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13(7aH)-tetrone,752236-17-2,(1R,4R,5S,9S,11R,14R,15S,19S)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo(9.9.2.01,13.03,11.04,9.014,19)docosane-2,8,12,18-tetrone,(4S,4aR,6aR,7aS,11S,11aR,13aR,14aS)-4,11-dihydroxydecahydro-1H,7H-6a,13a-epidithiopyrazino(1,2-a:4,5-a')diindole-1,6,8,13(7aH)-tetrone,CHEMBL516314,HY-N10204,CS-0372671,Q27134854

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Structure

  • Smiles: C1CC(=O)C2CC34C(=O)N5C6C(CCC(=O)C6CC5(C(=O)N3C2C1O)SS4)O

  • Isomeric smiles: C1CC(=O)[C@H]2C[C@@]34C(=O)N5[C@H]6[C@H](CCC(=O)[C@H]6C[C@]5(C(=O)N3[C@H]2[C@H]1O)SS4)O

  • Inchi: InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2/t7-,8-,11+,12+,13-,14-,17-,18-/m1/s1

  • Inchikey: ICKHXBRXCAORGF-ZJNFRVSGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H20N2O6S2

  • Molecular weight: 424.50

  • Monoisotopic mass: 424.07627871

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Fungi

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