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CHEBI:204151 - Bionectin C

ChEBI IDCHEBI:204151
ChEBI NameBionectin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24N4O3S2
Net Charge0
Average Mass480.615
Monoisotopic Mass480.12898
SMILESCS[C@H]1C(=O)N2[C@H]3Nc4ccccc4[C@@]3(c3cnc4ccccc34)[C@H](O)[C@]2(SC)C(=O)N1C
InChIInChI=1S/C24H24N4O3S2/c1-27-19(32-2)18(29)28-21-23(14-9-5-7-11-17(14)26-21,20(30)24(28,33-3)22(27)31)15-12-25-16-10-6-4-8-13(15)16/h4-12,19-21,25-26,30H,1-3H3/t19-,20-,21+,23+,24-/m0/s1
InChIKeyJRTACGAFPBCZMH-OSGAQNHASA-N
Species of MetaboliteComponentSourceComments
Clonostachys (ncbitaxon:110564) - PubMed (17190469)
ChEBI Ontology
Outgoing Relation(s)
Bionectin C (CHEBI:204151) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,8S,9R)-8-hydroxy-9-(1H-indol-3-yl)-5-methyl-4,7-bis(methylsulanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
17257469ChemSpider