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CHEBI:230933 - Nosantine

Default Structure
ChEBI IDCHEBI:230933
ChEBI NameNosantine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22N4O2
Net Charge0
Average Mass278.356
Monoisotopic Mass278.17428
SMILESCCCCCC[C@@H]([C@@H](C)O)n1cnc2c(=O)ncnc21
InChIInChI=1S/C14H22N4O2/c1-3-4-5-6-7-11(10(2)19)18-9-17-12-13(18)15-8-16-14(12)20/h8-11,19H,3-7H2,1-2H3,(H,15,16,20)/t10-,11+/m1/s1
InChIKeyRSMDQPNZAPMDJC-MNOVXSKESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Nosantine (CHEBI:230933) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
9-[(2R,3S)-2-hydroxynonan-3-yl]-1H-purin-6-one
Manual XrefsDatabases
8509249ChemSpider