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CHEBI:198341 - Lapatin A

ChEBI IDCHEBI:198341
ChEBI NameLapatin A
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SubmitterMetaboLights
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FormulaC23H19N5O3
Net Charge0
Average Mass413.437
Monoisotopic Mass413.14879
SMILESC[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@H]2C(=O)NC1c1nc3ccccc3c(=O)n12
InChIInChI=1S/C23H19N5O3/c1-11-20(30)28-15-9-5-3-7-13(15)23(22(28)24-11)10-16-19(29)26-17(23)18-25-14-8-4-2-6-12(14)21(31)27(16)18/h2-9,11,16-17,22,24H,10H2,1H3,(H,26,29)/t11-,16-,17?,22-,23+/m0/s1
InChIKeyWBCINSMUFGLFNX-KVFLIWAASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15974610)
ChEBI Ontology
Outgoing Relation(s)
Lapatin A (CHEBI:198341) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1S,2'S,3'aS,16R)-2'-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione
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78440006ChemSpider