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CHEBI:221499 - Synerazol

ChEBI IDCHEBI:221499
ChEBI NameSynerazol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23NO7
Net Charge0
Average Mass413.426
Monoisotopic Mass413.14745
SMILESCC/C=C\[C@H]1O[C@@H]1C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
InChIInChI=1S/C22H23NO7/c1-4-5-11-14-16(29-14)15-12(2)17(24)21(30-15)19(26)22(28-3,23-20(21)27)18(25)13-9-7-6-8-10-13/h5-11,14,16,19,26H,4H2,1-3H3,(H,23,27)/b11-5-/t14-,16+,19-,21-,22-/m1/s1
InChIKeyUCUHTBUWKCQZNJ-WZNGDJORSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (2032946)
ChEBI Ontology
Outgoing Relation(s)
Synerazol (CHEBI:221499) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8S,9R)-8-benzoyl-2-[(2S,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
9340955ChemSpider