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CHEBI:218998 - Asperorydine J

Default Structure
ChEBI IDCHEBI:218998
ChEBI NameAsperorydine J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O5
Net Charge0
Average Mass358.394
Monoisotopic Mass358.15287
SMILESCNc1cccc2c1C(=O)[C@@H]1C(=O)N(C(=O)CC(=O)OC)C(C)(C)[C@@H]1C2
InChIInChI=1S/C19H22N2O5/c1-19(2)11-8-10-6-5-7-12(20-3)15(10)17(24)16(11)18(25)21(19)13(22)9-14(23)26-4/h5-7,11,16,20H,8-9H2,1-4H3/t11-,16-/m1/s1
InChIKeyPISDGLMTVUSQRK-BDJLRTHQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (29271645)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Asperorydine J (CHEBI:218998) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
methyl 3-[(3aR,9aR)-1,1-dimethyl-5-(methylamino)-3,4-dioxo-9,9a-dihydro-3aH-benzo[]isoindol-2-yl]-3-oxopropanoate
Manual XrefsDatabases
78439484ChemSpider