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CHEBI:208058 - Cephalimysin N

ChEBI IDCHEBI:208058
ChEBI NameCephalimysin N
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SubmitterMetaboLights
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FormulaC22H21NO8
Net Charge0
Average Mass427.409
Monoisotopic Mass427.12672
SMILESCCc1ccc(C2=C(CO)C(=O)[C@]3(O2)C(=O)N[C@@](OC)(C(=O)c2ccccc2)C3O)o1
InChIInChI=1S/C22H21NO8/c1-3-13-9-10-15(30-13)16-14(11-24)18(26)21(31-16)19(27)22(29-2,23-20(21)28)17(25)12-7-5-4-6-8-12/h4-10,19,24,27H,3,11H2,1-2H3,(H,23,28)/t19?,21-,22-/m1/s1
InChIKeySCOKKIFHVKIXRY-CEAUUGKZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31091673)
ChEBI Ontology
Outgoing Relation(s)
Cephalimysin N (CHEBI:208058) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8S)-8-benzoyl-2-(5-ethyluran-2-yl)-9-hydroxy-3-(hydroxymethyl)-8-methoxy-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
73930400ChemSpider