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Sporidesmin J

  • Formula: C17H18ClN3O6S2

  • Molecular weight: 459.90

  • Smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4)OC)OC)Cl)O

  • Type: Epipolythiopiperazine-3,6-dione

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Sporidesmin J

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

Names

  • Mycotoxin name: Sporidesmin J

  • First synonym: None

  • Synonyms: Sporidesmin J,69799-25-3,UNII-Y7B4283R4S,Y7B4283R4S,DE-N6-METHYLSPORIDESMIN,(+/-)-SPORIDESMIN J,SPORIDESMIN J, (+/-)-,(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione,3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione,9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3-dimethyl-, (3R,5aR,10bS,11R,11aR)-,3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-1,4-DIONE, 9-CHLORO-2,3,5A,6,10B,11-HEXAHYDRO-10B,11-DIHYDROXY-7,8-DIMETHOXY-2,3-DIMETHYL-, (3R-(3.ALPHA.,5A.ALPHA.,10B.ALPHA.,11.BETA.,11A.ALPHA.))-,CHEBI:80715,DTXSID60990054,Q27149752,3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-1,4-DIONE, 9-CHLORO-2,3,5A,6,10B,11-HEXAHYDRO-10B,11-DIHYDROXY-7,8-DIMETHOXY-2,3-DIMETHYL-, (3R-(3ALPHA,5AALPHA,10BALPHA,11BETA,11AALPHA))-,9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3-dimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione

Identifiers / External links

Structure

  • Smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4)OC)OC)Cl)O

  • Isomeric smiles: C[C@@]12C(=O)N3[C@@H]4[C@]([C@H]([C@]3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4)OC)OC)Cl)O

  • Inchi: InChI=1S/C17H18ClN3O6S2/c1-15-13(23)21-12-16(25,11(22)17(21,29-28-15)14(24)20(15)2)6-5-7(18)9(26-3)10(27-4)8(6)19-12/h5,11-12,19,22,25H,1-4H3/t11-,12-,15-,16-,17-/m1/s1

  • Inchikey: QMMDQXDENCYFDX-UNTBTUBKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H18ClN3O6S2

  • Molecular weight: 459.90

  • Monoisotopic mass: 459.0325553

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Fungi

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