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CHEBI:222535 - Bionectin E

ChEBI IDCHEBI:222535
ChEBI NameBionectin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22N4O3S2
Net Charge0
Average Mass478.599
Monoisotopic Mass478.11333
SMILESCC[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1(c4cnc5ccccc45)c4ccccc4N[C@@H]1N3C2=O
InChIInChI=1S/C24H22N4O3S2/c1-3-22-20(30)28-19-23(14-9-5-7-11-17(14)26-19,15-12-25-16-10-6-4-8-13(15)16)18(29)24(28,33-32-22)21(31)27(22)2/h4-12,18-19,25-26,29H,3H2,1-2H3/t18-,19+,22-,23+,24-/m0/s1
InChIKeyHURRRPHPMBYTBV-CGXVDHOPSA-N
Species of MetaboliteComponentSourceComments
Clonostachysspecies Y1085 (ncbitaxon:2213019) - PubMed (31324892)
ChEBI Ontology
Outgoing Relation(s)
Bionectin E (CHEBI:222535) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3R,11R,14S)-14-ethyl-2-hydroxy-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