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CHEBI:202548 - Rhinocladin B

ChEBI IDCHEBI:202548
ChEBI NameRhinocladin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29N3O2
Net Charge0
Average Mass367.493
Monoisotopic Mass367.22598
SMILESCC(C)=CCc1ccc2ncc(C[C@@H]3NC(=O)[C@H](CC(C)C)NC3=O)c2c1
InChIInChI=1S/C22H29N3O2/c1-13(2)5-6-15-7-8-18-17(10-15)16(12-23-18)11-20-22(27)24-19(9-14(3)4)21(26)25-20/h5,7-8,10,12,14,19-20,23H,6,9,11H2,1-4H3,(H,24,27)(H,25,26)/t19-,20-/m0/s1
InChIKeyOPJDHMQJVPIBCH-PMACEKPBSA-N
Species of MetaboliteComponentSourceComments
Rhinocladiellaspecies lgt-3 (ncbitaxon:1495477) - PubMed (25115794)
ChEBI Ontology
Outgoing Relation(s)
Rhinocladin B (CHEBI:202548) is a indoles (CHEBI:24828)
IUPAC Name 
(3S,6S)-3-[[5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-(2-methylpropyl)piperazine-2,5-dione
Manual XrefsDatabases
78440893ChemSpider