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M  END
> <ID>
CHEBI:9243

> <NAME>
sporidesmin A

> <DEFINITION>
An organic heteropentacyclic compound that has formula C18H20ClN3O6S2, produced by the saprophyte fungus Pithomyces chartarum. It is a mycotoxin responsible for the hepatogenous photosensitisation disease facial eczema in ruminants.

> <STAR>
3

> <SYNONYM>
sporidesmin; hydroxysporidesmin B; (3R,5aR,10bS,11R,11aR)-9-Chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione

> <IUPAC_NAME>
(3R,5aR,10bS,11R,11aR)-9-chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione

> <FORMULA>
C18H20ClN3O6S2

> <MASS>
473.940

> <MONOISOTOPIC_MASS>
473.04821

> <CHARGE>
0

> <SMILES>
[H][C@]12N(C)C3=C(C=C(Cl)C(OC)=C3OC)[C@@]1(O)[C@@H](O)[C@@]13SS[C@@](C)(N(C)C1=O)C(=O)N23

> <INCHI>
InChI=1S/C18H20ClN3O6S2/c1-16-14(24)22-13-17(26,12(23)18(22,30-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3/t12-,13-,16-,17-,18-/m1/s1

> <INCHIKEY>
QTONANGUNATZOU-ICTVWZTPSA-N

> <CAS_REGISTRY_NUMBER>
1456-55-9

> <CHEMIDPLUS>
1456-55-9

> <KEGG_COMPOUND_ACCESSION>
C10618

> <KNAPSACK_ACCESSION>
C00002363

> <AGRICOLA_CITATION>
IND93006948

> <PUBMED_CITATION>
10947103; 11410239; 16005584; 16031618; 16031836; 16032061; 16032063; 16032149; 16032159; 16032308; 16315666; 16846241; 19032699; 24280939; 27079671; 28193462; 29706850; 29949719; 30016827; 30145942; 31747528; 32054403; 32981484; 33670922; 3611593; 5071863; 8307980; 9489029

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