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CHEBI:199604 - Serantrypinone

ChEBI IDCHEBI:199604
ChEBI NameSerantrypinone
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SubmitterMetaboLights
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FormulaC21H16N4O4
Net Charge0
Average Mass388.383
Monoisotopic Mass388.11715
SMILESO=C1N[C@@]2(CO)c3nc4ccccc4c(=O)n3[C@@H]1C[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C21H16N4O4/c26-10-21-18-22-13-7-3-1-5-11(13)17(28)25(18)15(16(27)24-21)9-20(21)12-6-2-4-8-14(12)23-19(20)29/h1-8,15,26H,9-10H2,(H,23,29)(H,24,27)/t15-,20-,21+/m1/s1
InChIKeyXDRBDKVSHABELK-LPTQZCDUSA-N
Species of MetaboliteComponentSourceComments
Penicillium thymicola (ncbitaxon:293382) - PubMed (11754624)
ChEBI Ontology
Outgoing Relation(s)
Serantrypinone (CHEBI:199604) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1'R,3S,12'R)-12'-(hydroxymethyl)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
78440052ChemSpider