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CHEBI:218992 - Asperorydine I

ChEBI IDCHEBI:218992
ChEBI NameAsperorydine I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O4
Net Charge0
Average Mass342.395
Monoisotopic Mass342.15796
SMILESCNc1cccc2c1C(=O)[C@@H]1C(=O)N(C(=O)CC(C)=O)C(C)(C)[C@@H]1C2
InChIInChI=1S/C19H22N2O4/c1-10(22)8-14(23)21-18(25)16-12(19(21,2)3)9-11-6-5-7-13(20-4)15(11)17(16)24/h5-7,12,16,20H,8-9H2,1-4H3/t12-,16-/m1/s1
InChIKeyFRHIEXGDYQMFJP-MLGOLLRUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (29271645)
ChEBI Ontology
Outgoing Relation(s)
Asperorydine I (CHEBI:218992) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3aR,9aR)-1,1-dimethyl-5-(methylamino)-2-(3-oxobutanoyl)-9,9a-dihydro-3aH-benzo[]isoindole-3,4-dione
Manual XrefsDatabases
78439483ChemSpider