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CHEBI:203420 - Alantrypinene B

ChEBI IDCHEBI:203420
ChEBI NameAlantrypinene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16N4O2
Net Charge0
Average Mass356.385
Monoisotopic Mass356.12733
SMILESC[C@@]12NC(=O)[C@@H](C[C@]13C=Nc1ccccc13)n1c2nc2ccccc2c1=O
InChIInChI=1S/C21H16N4O2/c1-20-19-23-14-8-4-2-6-12(14)18(27)25(19)16(17(26)24-20)10-21(20)11-22-15-9-5-3-7-13(15)21/h2-9,11,16H,10H2,1H3,(H,24,26)/t16-,20+,21-/m1/s1
InChIKeyUGJOAVUFFONAPW-TYCQWZJGSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.bse.2004.09.002)
ChEBI Ontology
Outgoing Relation(s)
Alantrypinene B (CHEBI:203420) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1R,12R,16R)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,3'-indole]-3,14-dione