CHEBI:200239 - Cephalimysin D

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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 D
ChEBI ID CHEBI:200239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H21NO7
Net Charge 0
Average Mass 411.410
Monoisotopic Mass 411.13180
InChI InChI=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
InChIKey PXIIDWGMSCTXAQ-ILWGZMRPSA-N
SMILES O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@]13OC(C=4OC(CC)=CC4)=C(C3=O)C)O
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
ChEBI Ontology
Outgoing Cephalimysin D (CHEBI:200239) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(5R,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 Xref Database
27025014 ChemSpider
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