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CHEBI:202617 - Cephalimysin B

ChEBI IDCHEBI:202617
ChEBI NameCephalimysin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21NO7
Net Charge0
Average Mass411.410
Monoisotopic Mass411.13180
SMILESCCc1ccc(C2=C(C)C(=O)[C@]3(O2)C(=O)N[C@@](OC)(C(=O)c2ccccc2)[C@H]3O)o1
InChIInChI=1S/C22H21NO7/c1-4-14-10-11-15(29-14)16-12(2)17(24)21(30-16)19(26)22(28-3,23-20(21)27)18(25)13-8-6-5-7-9-13/h5-11,19,26H,4H2,1-3H3,(H,23,27)/t19-,21+,22+/m0/s1
InChIKeyPXIIDWGMSCTXAQ-KSEOMHKRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (20507073)
ChEBI Ontology
Outgoing Relation(s)
Cephalimysin B (CHEBI:202617) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8S,9S)-8-benzoyl-2-(5-ethyluran-2-yl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
27025012ChemSpider