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CHEBI:202250 - Speradine E

ChEBI IDCHEBI:202250
ChEBI NameSperadine E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18N2O5
Net Charge0
Average Mass366.373
Monoisotopic Mass366.12157
SMILESCOC(=O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C
InChIInChI=1S/C20H18N2O5/c1-20(2)11-8-10-6-5-7-12-15(10)17(18(25)21(12)3)16(11)19(26)22(20)13(23)9-14(24)27-4/h5-8H,9H2,1-4H3
InChIKeyIJQOCPUOONIEFG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - DOI (10.3987/com-14-13004)
ChEBI Ontology
Outgoing Relation(s)
Speradine E (CHEBI:202250) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl 3-oxo-3-(5,5,13-trimethyl-3,14-dioxo-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9,11-pentaen-4-yl)propanoate
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32674650ChemSpider