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CHEBI:211032 - Protuboxepin I

ChEBI IDCHEBI:211032
ChEBI NameProtuboxepin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21N3O3
Net Charge0
Average Mass375.428
Monoisotopic Mass375.15829
SMILESCC/C(C)=C1/NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(O)cccc1c2=O
InChIInChI=1S/C22H21N3O3/c1-3-13(2)18-20-23-19-15(10-7-11-17(19)26)22(28)25(20)16(21(27)24-18)12-14-8-5-4-6-9-14/h4-11,16,26H,3,12H2,1-2H3,(H,24,27)/b18-13+/t16-/m1/s1
InChIKeyFZKQHPXFSGQFMI-APVMCDBPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/c8qo01147h)
ChEBI Ontology
Outgoing Relation(s)
Protuboxepin I (CHEBI:211032) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1E,4R)-4-benzyl-1-butan-2-ylidene-10-hydroxy-4H-pyrazino[2,1-b]quinazoline-3,6-dione
Manual XrefsDatabases
71360614ChemSpider