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CHEBI:202267 - Kipukasin A

ChEBI IDCHEBI:202267
ChEBI NameKipukasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O10
Net Charge0
Average Mass464.427
Monoisotopic Mass464.14309
SMILESCOc1cc(C)c(C(=O)O[C@H]2[C@@H](OC(C)=O)[C@H](n3ccc(=O)nc3=O)O[C@@H]2CO)c(OC)c1
InChIInChI=1S/C21H24N2O10/c1-10-7-12(29-3)8-13(30-4)16(10)20(27)33-17-14(9-24)32-19(18(17)31-11(2)25)23-6-5-15(26)22-21(23)28/h5-8,14,17-19,24H,9H2,1-4H3,(H,22,26,28)/t14-,17-,18-,19-/m1/s1
InChIKeyMAWCJLLSYLMLHT-UTRMSSBJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (17608440)
ChEBI Ontology
Outgoing Relation(s)
Kipukasin A (CHEBI:202267) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name 
[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 2,4-dimethoxy-6-methylbenzoate
Manual XrefsDatabases
22842430ChemSpider