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CHEBI:208791 - Protuboxepin D

ChEBI IDCHEBI:208791
ChEBI NameProtuboxepin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N3O4
Net Charge0
Average Mass393.443
Monoisotopic Mass393.16886
SMILESCC[C@H](C)[C@]1(O)NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1
InChIInChI=1S/C22H23N3O4/c1-3-14(2)22(28)21-23-19-16(11-7-8-12-29-19)20(27)25(21)17(18(26)24-22)13-15-9-5-4-6-10-15/h4-12,14,17,28H,3,13H2,1-2H3,(H,24,26)/t14-,17+,22+/m0/s1
InChIKeyQSTWWSSMFYPLHS-WTBBCNCBSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO XWS02F40 (ncbitaxon:1754195) - PubMed (29313378)
ChEBI Ontology
Outgoing Relation(s)
Protuboxepin D (CHEBI:208791) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(4R,7R)-7-benzyl-4-[(2S)-butan-2-yl]-4-hydroxy-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual XrefsDatabases
71048517ChemSpider