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CHEBI:212936 - Alantrypinone

ChEBI IDCHEBI:212936
ChEBI NameAlantrypinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16N4O3
Net Charge0
Average Mass372.384
Monoisotopic Mass372.12224
SMILESCC12NC(=O)C(C[C@]13C(=O)Nc1ccccc13)n1c2nc2ccccc2c1=O
InChIInChI=1S/C21H16N4O3/c1-20-18-22-13-8-4-2-6-11(13)17(27)25(18)15(16(26)24-20)10-21(20)12-7-3-5-9-14(12)23-19(21)28/h2-9,15H,10H2,1H3,(H,23,28)(H,24,26)/t15?,20?,21-/m0/s1
InChIKeyCOXWNIZQNAMTQL-UJWQOHNOSA-N
Species of MetaboliteComponentSourceComments
Penicillium thymicola (ncbitaxon:293382) - PubMed (9748389)
ChEBI Ontology
Outgoing Relation(s)
Alantrypinone (CHEBI:212936) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(3R)-12'-methylspiro[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
78438020ChemSpider