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CHEBI:219293 - Sporidesmin D

ChEBI IDCHEBI:219293
ChEBI NameSporidesmin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26ClN3O6S2
Net Charge0
Average Mass504.030
Monoisotopic Mass503.09516
SMILESCOc1c(Cl)cc2c(c1OC)N(C)[C@@H]1N3C(=O)[C@@](C)(SC)N(C)C(=O)[C@]3(SC)[C@H](O)[C@]21O
InChIInChI=1S/C20H26ClN3O6S2/c1-18(31-6)16(26)24-15-19(28,14(25)20(24,32-7)17(27)23(18)3)9-8-10(21)12(29-4)13(30-5)11(9)22(15)2/h8,14-15,25,28H,1-7H3/t14-,15-,18-,19-,20-/m1/s1
InChIKeyCKKYQBFKVBEKFR-UYUBTLJZSA-N
Species of MetaboliteComponentSourceComments
Pithomyces chartarum (ncbitaxon:1547544) - DOI (10.1039/j39690001564)
ChEBI Ontology
Outgoing Relation(s)
Sporidesmin D (CHEBI:219293) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4R,7R,8R,9S)-12-chloro-8,9-dihydroxy-13,14-dimethoxy-4,5,16-trimethyl-4,7-bis(methylsulanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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32697430ChemSpider