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CHEBI:216953 - Aspergilline A

ChEBI IDCHEBI:216953
ChEBI NameAspergilline A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O6
Net Charge0
Average Mass372.377
Monoisotopic Mass372.13214
SMILESCN1C(=O)[C@]23O[C@]4(O)[C@@H](O)C(=O)N5C(C)(C)[C@H](Cc6cccc1c62)[C@H]3[C@@]54O
InChIInChI=1S/C19H20N2O6/c1-16(2)9-7-8-5-4-6-10-11(8)17(15(24)20(10)3)12(9)18(25)19(26,27-17)13(22)14(23)21(16)18/h4-6,9,12-13,22,25-26H,7H2,1-3H3/t9-,12-,13+,17+,18+,19-/m1/s1
InChIKeyYIGBDGWSJIGYOK-NMNSOAEXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (25226561)
ChEBI Ontology
Outgoing Relation(s)
Aspergilline A (CHEBI:216953) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2R,3S,4R,5R,9R)-3,4,5-trihydroxy-8,8,16-trimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.11,4.02,9.03,7.015,18]nonadeca-11(18),12,14-triene-6,17-dione
Manual XrefsDatabases
75585810ChemSpider