CHEBI:203241 - Kipukasin J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kipukasin J
ChEBI ID CHEBI:203241
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22N2O10
Net Charge 0
Average Mass 450.400
Monoisotopic Mass 450.12744
InChI InChI=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
InChIKey IXQHYJHUSQNOOZ-BNEJOLLZSA-N
SMILES O=C1N(C=CC(N1C)=O)[C@@H]2O[C@H](CO)[C@H]([C@H]2OC(=O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Metabolite of Species Details
Aspergillus flavus (NCBI:txid5059) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
58196683 ChemSpider
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