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CHEBI:223541 - Protuboxepin K

ChEBI IDCHEBI:223541
ChEBI NameProtuboxepin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N3O2
Net Charge0
Average Mass361.445
Monoisotopic Mass361.17903
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)n2c1nc1ccccc1c2=O
InChIInChI=1S/C22H23N3O2/c1-3-14(2)19-20-23-17-12-8-7-11-16(17)22(27)25(20)18(21(26)24-19)13-15-9-5-4-6-10-15/h4-12,14,18-19H,3,13H2,1-2H3,(H,24,26)/t14-,18-,19+/m1/s1
InChIKeyKSEFFCLJWITCGP-ZMYBRWDISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32439987)
ChEBI Ontology
Outgoing Relation(s)
Protuboxepin K (CHEBI:223541) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,4R)-4-benzyl-1-[(2R)-butan-2-yl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione