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CHEBI:204535 - Kipukasin B

ChEBI IDCHEBI:204535
ChEBI NameKipukasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O10
Net Charge0
Average Mass450.400
Monoisotopic Mass450.12744
SMILESCOc1cc(O)cc(C)c1C(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](n2ccc(=O)nc2=O)O[C@@H]1CO
InChIInChI=1S/C20H22N2O10/c1-9-6-11(25)7-12(29-3)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/m1/s1
InChIKeyULPUBSPPYRXUOZ-BNEJOLLZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (17608440)
ChEBI Ontology
Outgoing Relation(s)
Kipukasin B (CHEBI:204535) 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] 4-hydroxy-2-methoxy-6-methylbenzoate
Manual XrefsDatabases
22842428ChemSpider