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CHEBI:197643 - Sporidesmin B

ChEBI IDCHEBI:197643
ChEBI NameSporidesmin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20ClN3O5S2
Net Charge0
Average Mass457.961
Monoisotopic Mass457.05329
SMILESCOc1c(Cl)cc2c(c1OC)N(C)C1N3C(=O)C4(C)SSC3(CC21O)C(=O)N4C
InChIInChI=1S/C18H20ClN3O5S2/c1-16-14(23)22-13-17(25,7-18(22,29-28-16)15(24)21(16)3)8-6-9(19)11(26-4)12(27-5)10(8)20(13)2/h6,13,25H,7H2,1-5H3
InChIKeyHCAHETRFJITQNU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1039/jr9630003172)
ChEBI Ontology
Outgoing Relation(s)
Sporidesmin B (CHEBI:197643) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Manual XrefsDatabases
90241ChemSpider