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CHEBI:205693 - JBIR-31

ChEBI IDCHEBI:205693
ChEBI NameJBIR-31
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N3O3
Net Charge0
Average Mass453.627
Monoisotopic Mass453.29914
SMILESC=CC(C)(CCC=C(C)C)c1ccc2c3c1NC(=O)[C@@H]3C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C27H39N3O3/c1-8-27(6,13-9-10-16(2)3)20-11-12-21-22-19(25(32)29-23(20)22)14-18(15-31)28-26(33)24(17(4)5)30(21)7/h8,10-12,17-19,24,31H,1,9,13-15H2,2-7H3,(H,28,33)(H,29,32)/t18-,19+,24-,27?/m0/s1
InChIKeyVMRJSCCTMLTVII-GFVQWLNCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19927166)
ChEBI Ontology
Outgoing Relation(s)
JBIR-31 (CHEBI:205693) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1R,10S,13S)-5-(3,7-dimethylocta-1,6-dien-3-yl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-4,6,8(15)-triene-2,11-dione
Manual XrefsDatabases
78441941ChemSpider