CHEBI:208058 - Cephalimysin N

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cephalimysin N
ChEBI ID CHEBI:208058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H21NO8
Net Charge 0
Average Mass 427.409
Monoisotopic Mass 427.12672
InChI InChI=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
InChIKey SCOKKIFHVKIXRY-CEAUUGKZSA-N
SMILES O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)C([C@@]13OC(C=4OC(CC)=CC4)=C(C3=O)CO)O
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
73930400 ChemSpider
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