Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 07:32:55 UTC
Update Date2022-08-31 06:41:50 UTC
Metabolite IDMMDBc0017082
Metabolite Identification
Common NameCephalimysin C
DescriptionCephalimysin C, also known as FD838 CPD, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Based on a literature review very few articles have been published on Cephalimysin C.
Structure
Synonyms
ValueSource
FD838 CPDMeSH
Molecular FormulaC22H21NO7
Average Mass411.41
Monoisotopic Mass411.13180202
IUPAC Name(5S,8S,9R)-8-benzoyl-2-(5-ethylfuran-2-yl)-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
Traditional Name(5S,8S,9R)-8-benzoyl-2-(5-ethylfuran-2-yl)-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)[C@@](OC)(N=C(O)[C@@]11OC(=C(C)C1=O)C1=CC=C(CC)O1)C(=O)C1=CC=CC=C1
InChI Identifier
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-/m1/s1
InChI KeyPXIIDWGMSCTXAQ-BAGYTPMASA-N