CHEBI:206368 - Cephalimysin H

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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 H
ChEBI ID CHEBI:206368
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23NO7
Net Charge 0
Average Mass 413.426
Monoisotopic Mass 413.14745
InChI InChI=1S/C22H23NO7/c1-4-14-10-11-15(24)20(14)12(2)16(25)21(30-20)18(27)22(29-3,23-19(21)28)17(26)13-8-6-5-7-9-13/h5-12,14,18,27H,4H2,1-3H3,(H,23,28)/t12-,14+,18+,20-,21-,22-/m1/s1
InChIKey UUQBLSTUKNFCFG-SUEFUMJFSA-N
SMILES O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13O[C@]4(C(=O)C=C[C@@H]4CC)[C@@H](C3=O)C)O
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing Cephalimysin H (CHEBI:206368) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(1S,5S,7S,10S,11S,13S)-10-benzoyl-1-ethyl-11-hydroxy-10-methoxy-13-methyl-6-oxa-9-azadispiro[4.1.47.25]tridec-2-ene-4,8,12-trione
Manual Xref Database
64808916 ChemSpider
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