CHEBI:208052 - Cephalimysin M

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ChEBI Name Cephalimysin M
ChEBI ID CHEBI:208052
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H27NO7
Net Charge 0
Average Mass 417.458
Monoisotopic Mass 417.17875
InChI InChI=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
InChIKey FPGCNPLWJPFKCT-GUYYLUPMSA-N
SMILES O=C1N[C@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13OC(C(O)CCCCC)=C(C3=O)C)O
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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