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CHEBI:203241 - Kipukasin J

ChEBI IDCHEBI:203241
ChEBI NameKipukasin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O10
Net Charge0
Average Mass450.400
Monoisotopic Mass450.12744
SMILESCC(=O)O[C@@H]1[C@H](OC(=O)c2c(C)cc(O)cc2O)[C@@H](CO)O[C@H]1n1ccc(=O)n(C)c1=O
InChIInChI=1S/C20H22N2O10/c1-9-6-11(25)7-12(26)15(9)19(28)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(27)21(3)20(22)29/h4-7,13,16-18,23,25-26H,8H2,1-3H3/t13-,16-,17-,18-/m1/s1
InChIKeyIXQHYJHUSQNOOZ-BNEJOLLZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - DOI (10.1007/s10600-016-1610-y)
ChEBI Ontology
Outgoing Relation(s)
Kipukasin J (CHEBI:203241) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name 
[(2R,3R,4R,5R)-4-acetyloxy-2-(hydroxymethyl)-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2,4-dihydroxy-6-methylbenzoate
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58196683ChemSpider