EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208246 - Chrysopiperazine C

ChEBI IDCHEBI:208246
ChEBI NameChrysopiperazine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O4
Net Charge0
Average Mass373.453
Monoisotopic Mass373.20016
SMILESCC[C@H](C)[C@]1(OC)NC(=O)[C@@H](C(C)C)n2c1nc1ccc(OC)cc1c2=O
InChIInChI=1S/C20H27N3O4/c1-7-12(4)20(27-6)19-21-15-9-8-13(26-5)10-14(15)18(25)23(19)16(11(2)3)17(24)22-20/h8-12,16H,7H2,1-6H3,(H,22,24)/t12-,16+,20+/m0/s1
InChIKeyBXXKDKYMYMHCKH-BXJCWQANSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (31035506)
ChEBI Ontology
Outgoing Relation(s)
Chrysopiperazine C (CHEBI:208246) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,4R)-1-[(2S)-butan-2-yl]-1,8-dimethoxy-4-propan-2-yl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
Manual XrefsDatabases
74849487ChemSpider