CHEBI:203790 - Azaspirene

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Azaspirene
ChEBI ID CHEBI:203790
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H23NO5
Net Charge 0
Average Mass 369.417
Monoisotopic Mass 369.15762
InChI InChI=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
InChIKey QLKGRMRPKQNCRR-XXPFWKOGSA-N
SMILES O=C1N[C@@](O)(CC2=CC=CC=C2)[C@@H]([C@@]13OC(/C=C/C=C/CC)=C(C3=O)C)O
Metabolite of Species Details
Neosartoryaspecies (NCBI:txid1907505) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
9265103 ChemSpider
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