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CHEBI:208240 - Chrysopiperazine B

ChEBI IDCHEBI:208240
ChEBI NameChrysopiperazine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O5
Net Charge0
Average Mass389.452
Monoisotopic Mass389.19507
SMILESCC[C@H](C)[C@@]1(OC)NC(=O)[C@@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1
InChIInChI=1S/C20H27N3O5/c1-7-12(4)20(27-6)19-21-17-14(10-13(26-5)8-9-28-17)18(25)23(19)15(11(2)3)16(24)22-20/h8-12,15H,7H2,1-6H3,(H,22,24)/t12-,15+,20-/m0/s1
InChIKeyQAGOKKIRIONYAD-VHPWJVAPSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (31035506)
ChEBI Ontology
Outgoing Relation(s)
Chrysopiperazine B (CHEBI:208240) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(4S,7R)-4-[(2S)-butan-2-yl]-4,12-dimethoxy-7-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual XrefsDatabases
74849486ChemSpider