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CHEBI:208784 - Protuboxepin C

ChEBI IDCHEBI:208784
ChEBI NameProtuboxepin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25N3O4
Net Charge0
Average Mass407.470
Monoisotopic Mass407.18451
SMILESCC[C@H](C)[C@]1(OC)NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1
InChIInChI=1S/C23H25N3O4/c1-4-15(2)23(29-3)22-24-20-17(12-8-9-13-30-20)21(28)26(22)18(19(27)25-23)14-16-10-6-5-7-11-16/h5-13,15,18H,4,14H2,1-3H3,(H,25,27)/t15-,18+,23+/m0/s1
InChIKeyUNKBGIGJMVVZES-TUVUNVSASA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO XWS02F40 (ncbitaxon:1754195) - PubMed (29313378)
ChEBI Ontology
Outgoing Relation(s)
Protuboxepin C (CHEBI:208784) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(4R,7R)-7-benzyl-4-[(2S)-butan-2-yl]-4-methoxy-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual XrefsDatabases
71048516ChemSpider