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CHEBI:200920 - Lapatin B

ChEBI IDCHEBI:200920
ChEBI NameLapatin B
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SubmitterMetaboLights
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FormulaC20H14N4O3
Net Charge0
Average Mass358.357
Monoisotopic Mass358.10659
SMILESO=C1N[C@@H]2c3nc4ccccc4c(=O)n3[C@H]1CC21C(=O)Nc2ccccc21
InChIInChI=1S/C20H14N4O3/c25-17-14-9-20(11-6-2-4-8-13(11)22-19(20)27)15(23-17)16-21-12-7-3-1-5-10(12)18(26)24(14)16/h1-8,14-15H,9H2,(H,22,27)(H,23,25)/t14-,15+,20?/m0/s1
InChIKeyRSCQCCZWYNEMPN-VKWYCSODSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15974610)
ChEBI Ontology
Outgoing Relation(s)
Lapatin B (CHEBI:200920) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1'S,12'S)-spiro[1H-indole-3,16'-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-2,3',14'-trione
Manual XrefsDatabases
78440092ChemSpider