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CHEBI:204144 - Asperparaline B

ChEBI IDCHEBI:204144
ChEBI NameAsperparaline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27N3O3
Net Charge0
Average Mass345.443
Monoisotopic Mass345.20524
SMILESC[C@H]1CCN2C[C@]34C[C@]5(CC(=O)NC5=O)C(C)(C)[C@@H]3C[C@]12C(=O)N4C
InChIInChI=1S/C19H27N3O3/c1-11-5-6-22-10-18-9-17(8-13(23)20-14(17)24)16(2,3)12(18)7-19(11,22)15(25)21(18)4/h11-12H,5-10H2,1-4H3,(H,20,23,24)/t11-,12-,17-,18+,19+/m0/s1
InChIKeyLXDQBSJJUVATBH-IAEISPRFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (10705455)
ChEBI Ontology
Outgoing Relation(s)
Asperparaline B (CHEBI:204144) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1S,6S,7R,9S,11S)-6,10,10,13-tetramethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,3'-pyrrolidine]-2',5',14-trione