(Q61666922)

English

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3R)-1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl]oxyoxane-2-carboxylic acid

chemical compound

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Statements

group of stereoisomers

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chemical compound

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368.1219656 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₆H₂₀N₂O₈

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canonical SMILES

CN1C(=O)C(OC2OC(C(=O)O)C(O)C(O)C2O)CC1c1cccnc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1C(C[C@H](C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3=CN=CC=C3

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Identifiers

InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8?,9-,10+,11+,12-,13+,16-/m1/s1

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WALNNKZUGHYSCT-QBYCBOKUSA-N

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UniChem compound ID

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Human Metabolome Database ID

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based on heuristic

inferred from InChIKey

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