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CHEBI:214881 - Azaspirofuran B

ChEBI IDCHEBI:214881
ChEBI NameAzaspirofuran B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19NO7
Net Charge0
Average Mass397.383
Monoisotopic Mass397.11615
SMILESCCc1ccc(C2=C(C)C(=O)[C@]3(O2)C(=O)N[C@@](O)(C(=O)c2ccccc2)[C@@H]3O)o1
InChIInChI=1S/C21H19NO7/c1-3-13-9-10-14(28-13)15-11(2)16(23)20(29-15)18(25)21(27,22-19(20)26)17(24)12-7-5-4-6-8-12/h4-10,18,25,27H,3H2,1-2H3,(H,22,26)/t18-,20-,21-/m1/s1
InChIKeyMNZOUJCDZSUFOG-HMXCVIKNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20422356)
ChEBI Ontology
Outgoing Relation(s)
Azaspirofuran B (CHEBI:214881) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8S,9R)-8-benzoyl-2-(5-ethyluran-2-yl)-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
27024914ChemSpider