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CHEBI:205317 - Bionectin B

ChEBI IDCHEBI:205317
ChEBI NameBionectin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22N4O4S2
Net Charge0
Average Mass494.598
Monoisotopic Mass494.10825
SMILESCC(O)[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1(c4cnc5ccccc45)c4ccccc4N[C@@H]1N3C2=O
InChIInChI=1S/C24H22N4O4S2/c1-12(29)23-21(32)28-19-22(14-8-4-6-10-17(14)26-19,15-11-25-16-9-5-3-7-13(15)16)18(30)24(28,34-33-23)20(31)27(23)2/h3-12,18-19,25-26,29-30H,1-2H3/t12?,18-,19+,22+,23-,24-/m0/s1
InChIKeyRXMWCUHVQJFPOO-SOUSOVJZSA-N
Species of MetaboliteComponentSourceComments
Clonostachys (ncbitaxon:110564) - PubMed (17190469)
ChEBI Ontology
Outgoing Relation(s)
Bionectin B (CHEBI:205317) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3R,11R,14S)-2-hydroxy-14-(1-hydroxyethyl)-3-(1H-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Manual XrefsDatabases
17257467ChemSpider