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CHEBI:219267 - Periconiasin J

ChEBI IDCHEBI:219267
ChEBI NamePericoniasin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31NO2
Net Charge0
Average Mass329.484
Monoisotopic Mass329.23548
SMILESCC1=C[C@@H]2CC[C@H]3CC=C[C@@]3(O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C21H31NO2/c1-12(2)10-17-18-14(4)13(3)11-16-8-7-15-6-5-9-20(15,24)21(16,18)19(23)22-17/h5,9,11-12,14-18,24H,6-8,10H2,1-4H3,(H,22,23)/t14-,15-,16+,17+,18+,20+,21-/m1/s1
InChIKeyLXXXTHQCFDZRDD-KCJZHZCVSA-N
Species of MetaboliteComponentSourceComments
Periconia (ncbitaxon:97971) - DOI (10.1016/j.tetlet.2016.11.038)
ChEBI Ontology
Outgoing Relation(s)
Periconiasin J (CHEBI:219267) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,2R,6S,9S,12S,13R,14S)-2-hydroxy-11,12-dimethyl-14-(2-methylpropyl)-15-azatetracyclo[7.7.0.01,13.02,6]hexadeca-3,10-dien-16-one
Manual XrefsDatabases
78438701ChemSpider