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CHEBI:203790 - Azaspirene

ChEBI IDCHEBI:203790
ChEBI NameAzaspirene
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23NO5
Net Charge0
Average Mass369.417
Monoisotopic Mass369.15762
SMILESCC/C=C/C=C/C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](O)(Cc1ccccc1)[C@@H]2O
InChIInChI=1S/C21H23NO5/c1-3-4-5-9-12-16-14(2)17(23)21(27-16)18(24)20(26,22-19(21)25)13-15-10-7-6-8-11-15/h4-12,18,24,26H,3,13H2,1-2H3,(H,22,25)/b5-4+,12-9+/t18-,20+,21+/m0/s1
InChIKeyQLKGRMRPKQNCRR-XXPFWKOGSA-N
Species of MetaboliteComponentSourceComments
Neosartoryaspecies (ncbitaxon:1907505) - PubMed (12182570)
ChEBI Ontology
Outgoing Relation(s)
Azaspirene (CHEBI:203790) is a oxolanes (CHEBI:26912)
IUPAC Name 
(5S,8R,9R)-8-benzyl-2-[(1E,3E)-hexa-1,3-dienyl]-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
9265103ChemSpider