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CHEBI:211037 - Protuboxepin J

Default Structure
ChEBI IDCHEBI:211037
ChEBI NameProtuboxepin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25N3O3
Net Charge0
Average Mass391.471
Monoisotopic Mass391.18959
SMILESCC[C@H](C)[C@]1(OC)NC(=O)[C@@H](Cc2ccccc2)n2c1nc1ccccc1c2=O
InChIInChI=1S/C23H25N3O3/c1-4-15(2)23(29-3)22-24-18-13-9-8-12-17(18)21(28)26(22)19(20(27)25-23)14-16-10-6-5-7-11-16/h5-13,15,19H,4,14H2,1-3H3,(H,25,27)/t15-,19+,23+/m0/s1
InChIKeyLCJOHDBMLZNVPG-FCORRRHLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/c8qo01147h)
ChEBI Ontology
Outgoing Relation(s)
Protuboxepin J (CHEBI:211037) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,4R)-4-benzyl-1-[(2S)-butan-2-yl]-1-methoxy-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
Manual XrefsDatabases
71360615ChemSpider