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CHEBI:219024 - Asperorydine A

ChEBI IDCHEBI:219024
ChEBI NameAsperorydine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O3
Net Charge0
Average Mass336.391
Monoisotopic Mass336.14739
SMILESCC(=O)[C@]12C(=O)N[C@H](C1=O)C1=CNc3cccc4c3[C@H]1[C@H](C4)C2(C)C
InChIInChI=1S/C20H20N2O3/c1-9(23)20-17(24)16(22-18(20)25)11-8-21-13-6-4-5-10-7-12(19(20,2)3)15(11)14(10)13/h4-6,8,12,15-16,21H,7H2,1-3H3,(H,22,25)/t12-,15+,16-,20+/m0/s1
InChIKeyNXZRXKFLZZAYRA-UXFYUNLUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (29271645)
ChEBI Ontology
Outgoing Relation(s)
Asperorydine A (CHEBI:219024) is a quinolines (CHEBI:26513)
IUPAC Name 
(1S,11S,12S,14S)-14-acetyl-13,13-dimethyl-4,16-diazapentacyclo[12.2.1.19,12.02,11.05,10]octadeca-2,5,7,9-tetraene-15,17-dione
Manual XrefsDatabases
78439488ChemSpider