EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80715 - Sporidesmin J

ChEBI IDCHEBI:80715
ChEBI NameSporidesmin J
Stars
DownloadsMolfile
FormulaC17H18ClN3O6S2
Net Charge0
Average Mass459.933
Monoisotopic Mass459.03255
SMILES[H][C@]12Nc3c(cc(Cl)c(OC)c3OC)[C@@]1(O)[C@@H](O)[C@]13SS[C@](C)(C(=O)N12)N(C)C3=O
InChIInChI=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
InChIKeyQMMDQXDENCYFDX-UNTBTUBKSA-N
ChEBI Ontology
Outgoing Relation(s)
Sporidesmin J (CHEBI:80715) is a pyrroloindole (CHEBI:48133)
Manual XrefsDatabases
C16768KEGG COMPOUND
Registry NumbersSources
CAS:69799-25-3KEGG COMPOUND