CHEBI:204151 - Bionectin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bionectin C
ChEBI ID CHEBI:204151
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H24N4O3S2
Net Charge 0
Average Mass 480.600
Monoisotopic Mass 480.12898
InChI InChI=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
InChIKey JRTACGAFPBCZMH-OSGAQNHASA-N
SMILES S([C@]12N(C(=O)[C@H](SC)N(C1=O)C)[C@H]3NC=4C=CC=CC4[C@]3([C@@H]2O)C=5C6=C(C=CC=C6)NC5)C
Metabolite of Species Details
Clonostachys (NCBI:txid110564) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
17257469 ChemSpider
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