CHEBI:205317 - Bionectin B

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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 B
ChEBI ID CHEBI:205317
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H22N4O4S2
Net Charge 0
Average Mass 494.580
Monoisotopic Mass 494.10825
InChI InChI=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
InChIKey RXMWCUHVQJFPOO-SOUSOVJZSA-N
SMILES S1S[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]2O)C=6C7=C(C=CC=C7)NC6)C([C@]1(N(C)C3=O)C(O)C)=O
Metabolite of Species Details
Clonostachys (NCBI:txid110564) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
17257467 ChemSpider
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