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CHEBI:4954 - Exserohilone

ChEBI IDCHEBI:4954
ChEBI NameExserohilone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22N2O6S2
Net Charge0
Average Mass450.538
Monoisotopic Mass450.09193
SMILES[H][C@@]12C[C@]3(SC)C(=O)N4[C@](SC)(C[C@@]5([H])C(=O)C=C[C@@H](O)[C@]45[H])C(=O)N3[C@@]1([H])[C@H](O)C=CC2=O
InChIInChI=1S/C20H22N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3-6,9-10,13-16,25-26H,7-8H2,1-2H3/t9-,10-,13+,14+,15+,16+,19-,20-/m0/s1
InChIKeyFWPMSYUTOOUASJ-GFIYPFTLSA-N
ChEBI Ontology
Outgoing Relation(s)
Exserohilone (CHEBI:4954) is a indoles (CHEBI:24828)
Synonym  Source
ExserohiloneKEGG COMPOUND
Manual XrefsDatabases
C10593KEGG COMPOUND
C00002338KNApSAcK
Registry NumbersSources
CAS:99572-22-2KEGG COMPOUND