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CHEBI:203264 - Cephalimysin A

ChEBI IDCHEBI:203264
ChEBI NameCephalimysin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO6
Net Charge0
Average Mass399.443
Monoisotopic Mass399.16819
SMILESCC/C=C/CCC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@](OC)(C(=O)c1ccccc1)[C@@H]2O
InChIInChI=1S/C22H25NO6/c1-4-5-6-10-13-16-14(2)17(24)21(29-16)19(26)22(28-3,23-20(21)27)18(25)15-11-8-7-9-12-15/h5-9,11-12,19,26H,4,10,13H2,1-3H3,(H,23,27)/b6-5+/t19-,21-,22+/m1/s1
InChIKeyDOQXBDAURVMBOF-QMOITNCKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/j.tetlet.2007.07.024)
ChEBI Ontology
Outgoing Relation(s)
Cephalimysin A (CHEBI:203264) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8R,9R)-8-benzoyl-2-[(E)-hex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
27023100ChemSpider