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CHEBI:200813 - Speradine H

ChEBI IDCHEBI:200813
ChEBI NameSperadine H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18N2O4
Net Charge0
Average Mass350.374
Monoisotopic Mass350.12666
SMILESCC(=O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C
InChIInChI=1S/C20H18N2O4/c1-10(23)8-14(24)22-19(26)16-12(20(22,2)3)9-11-6-5-7-13-15(11)17(16)18(25)21(13)4/h5-7,9H,8H2,1-4H3
InChIKeyQOMBZTMIYJDJFP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (24966178)
ChEBI Ontology
Outgoing Relation(s)
Speradine H (CHEBI:200813) is a isoindoles (CHEBI:24897)
IUPAC Name 
5,5,13-trimethyl-4-(3-oxobutanoyl)-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9,11-pentaene-3,14-dione
Manual XrefsDatabases
34982029ChemSpider