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CHEBI:208052 - Cephalimysin M

ChEBI IDCHEBI:208052
ChEBI NameCephalimysin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO7
Net Charge0
Average Mass417.458
Monoisotopic Mass417.17875
SMILESCCCCCC(O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@](OC)(C(=O)c1ccccc1)[C@H]2O
InChIInChI=1S/C22H27NO7/c1-4-5-7-12-15(24)16-13(2)17(25)21(30-16)19(27)22(29-3,23-20(21)28)18(26)14-10-8-6-9-11-14/h6,8-11,15,19,24,27H,4-5,7,12H2,1-3H3,(H,23,28)/t15?,19-,21+,22-/m0/s1
InChIKeyFPGCNPLWJPFKCT-GUYYLUPMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31091673)
ChEBI Ontology
Outgoing Relation(s)
Cephalimysin M (CHEBI:208052) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8R,9S)-8-benzoyl-9-hydroxy-2-(1-hydroxyhexyl)-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione