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CHEBI:219003 - Asperorydine K

ChEBI IDCHEBI:219003
ChEBI NameAsperorydine K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23N3O3
Net Charge0
Average Mass353.422
Monoisotopic Mass353.17394
SMILESCNc1cccc2c1C(=O)[C@@H]1[C@H]3C(O)=C(C(C)=N)C(=O)N3C(C)(C)[C@@H]1C2
InChIInChI=1S/C20H23N3O3/c1-9(21)13-18(25)16-15-11(20(2,3)23(16)19(13)26)8-10-6-5-7-12(22-4)14(10)17(15)24/h5-7,11,15-16,21-22,25H,8H2,1-4H3/t11-,15+,16+/m1/s1
InChIKeyFWPNUKOTCRYVIK-RLCCDNCMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (29271645)
ChEBI Ontology
Outgoing Relation(s)
Asperorydine K (CHEBI:219003) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,10S,11S)-13-ethanimidoyl-12-hydroxy-16,16-dimethyl-7-(methylamino)-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,12-tetraene-9,14-dione
Manual XrefsDatabases
78439485ChemSpider