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CHEBI:198649 - (S,S)-Anacine

ChEBI IDCHEBI:198649
ChEBI Name(S,S)-Anacine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N4O3
Net Charge0
Average Mass342.399
Monoisotopic Mass342.16919
SMILESCC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)n2c1nc1ccccc1c2=O
InChIInChI=1S/C18H22N4O3/c1-10(2)9-13-16-20-12-6-4-3-5-11(12)18(25)22(16)14(17(24)21-13)7-8-15(19)23/h3-6,10,13-14H,7-9H2,1-2H3,(H2,19,23)(H,21,24)/t13-,14-/m0/s1
InChIKeyUAOSLESQKDQZRL-KBPBESRZSA-N
Species of MetaboliteComponentSourceComments
Penicillium aurantiogriseum (ncbitaxon:36655) - DOI (10.1021/np50100a008)
ChEBI Ontology
Outgoing Relation(s)
(S,S)-Anacine (CHEBI:198649) is a quinazolines (CHEBI:38530)
IUPAC Name 
3-[(1S,4S)-1-(2-methylpropyl)-3,6-dioxo-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-4-yl]propanamide
Manual XrefsDatabases
9957508ChemSpider