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CHEBI:165847 - Wybutoxine

ChEBI IDCHEBI:165847
ChEBI NameWybutoxine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N6O7
Net Charge0
Average Mass408.371
Monoisotopic Mass408.13935
SMILESCOC(=O)NC(C(=O)OC)C(Cc1c(C)nc2n(C)c3ncnc3c(=O)n12)OO
InChIInChI=1S/C16H20N6O7/c1-7-8(5-9(29-26)10(14(24)27-3)20-16(25)28-4)22-13(23)11-12(18-6-17-11)21(2)15(22)19-7/h6,9-10,26H,5H2,1-4H3,(H,17,18)(H,20,25)
InChIKeyFRYWGCQTDZARGT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Wybutoxine (CHEBI:165847) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroperoxy-2-(methoxycarbonylamino)butanoate
Manual XrefsDatabases
167683ChemSpider
HMDB0039126HMDB
Registry NumbersSources
CAS:36238-44-5ChemIDplus