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CHEBI:219305 - Sporidesmin G

ChEBI IDCHEBI:219305
ChEBI NameSporidesmin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20ClN3O6S4
Net Charge0
Average Mass538.094
Monoisotopic Mass536.99235
SMILESCOc1c(Cl)cc2c(c1OC)N(C)[C@@H]1N3C(=O)[C@@]4(C)SSSS[C@@]3(C(=O)N4C)[C@H](O)[C@]21O
InChIInChI=1S/C18H20ClN3O6S4/c1-16-14(24)22-13-17(26,12(23)18(22,15(25)21(16)3)30-32-31-29-16)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
InChIKeyJKFOABBFIQXSLQ-ICTVWZTPSA-N
Species of MetaboliteComponentSourceComments
Pithomyces chartarum (ncbitaxon:1547544) - DOI (10.1039/p19720000470)
ChEBI Ontology
Outgoing Relation(s)
Sporidesmin G (CHEBI:219305) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,20-trimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione