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CHEBI:227423 - Kipukasin E

ChEBI IDCHEBI:227423
ChEBI NameKipukasin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O9
Net Charge0
Average Mass422.390
Monoisotopic Mass422.13253
SMILESCOc1cc(C)c(C(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2ccc(=O)nc2=O)c(OC)c1
InChIInChI=1S/C19H22N2O9/c1-9-6-10(27-2)7-11(28-3)14(9)18(25)30-16-15(24)12(8-22)29-17(16)21-5-4-13(23)20-19(21)26/h4-7,12,15-17,22,24H,8H2,1-3H3,(H,20,23,26)/t12-,15-,16-,17-/m1/s1
InChIKeyDOVSRUBRIYLZCI-BASLNEPJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (17608440)
ChEBI Ontology
Outgoing Relation(s)
Kipukasin E (CHEBI:227423) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name 
[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2,4-dimethoxy-6-methylbenzoate
Manual XrefsDatabases
22943285ChemSpider