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"new_abbrev": "\u4ee9", "product_ions": "", "reference_moiety": [ "C" ], "short_name": "D2C", "smile": "C1[C@@H]([C@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O" }, "452": { "formula": "C10H14N5O6P", "id": 452, "lc_elution_comment": "", "lc_elution_time": "", "mass_avg": null, "mass_monoiso": null, "mass_prot": null, "name": "[(2S,5R)-5-(2-amino-8-deuterio-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methylphosphonicacid", "new_abbrev": "\u4eb6", "product_ions": "", "reference_moiety": [ "G" ], "short_name": "2HG", "smile": "[2H]c2nc1c(=O)[nH]c(N)nc1n2[C@H]3CC(O)[C@@H](CP(=O)(O)O)O3" }, "453": { "formula": "C10H15N2O8P", "id": 453, "lc_elution_comment": "", "lc_elution_time": "", "mass_avg": null, "mass_monoiso": null, "mass_prot": null, "name": "[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyldihydrogenphosphate", "new_abbrev": "\u4ee4", "product_ions": "", "reference_moiety": [ "U" ], "short_name": "P1T", "smile": "Cc2cn([C@@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1)c(=O)[nH]c2=O" }, "454": { "formula": "C9H12N5O5P", "id": 454, "lc_elution_comment": "", "lc_elution_time": "", "mass_avg": null, "mass_monoiso": null, "mass_prot": null, "name": "[(2R,3S,5R)-5-(6-amino-8-deuteriopurin-9-yl)-3-hydroxyoxolan-2-yl]phosphonicacid", "new_abbrev": "\u4ece", "product_ions": "", "reference_moiety": [ "A" ], "short_name": "2HA", "smile": "[2H]c2nc1c(N)ncnc1n2[C@H]3C[C@H](O)[C@@H](P(=O)(O)O)O3" }, "455": { "formula": "", "id": 455, "lc_elution_comment": "", "lc_elution_time": "", "mass_avg": null, "mass_monoiso": null, "mass_prot": null, "name": "[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-(2-methoxyethyl)phosphonamidicacid", "new_abbrev": "\u4e78", "product_ions": "", "reference_moiety": [ "U" ], "short_name": "MU2", "smile": "COCCNP(=O)(O)OC[C@H]2O[C@H](n1cc(C)c(=O)[nH]c1=O)C[C@@H]2O" }, "456": { "formula": "C13H22N3O7P", "id": 456, "lc_elution_comment": "", "lc_elution_time": "", "mass_avg": null, "mass_monoiso": null, "mass_prot": null, "name": "[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-propylphosphonamidicacid", "new_abbrev": "\u4eb1", "product_ions": "", "reference_moiety": [ "U" ], "short_name": "MU3", "smile": "CCCNP(=O)(O)OC[C@H]2O[C@H](n1cc(C)c(=O)[nH]c1=O)C[C@@H]2O" }, "457": { "formula": "C14H24N3O9P", "id": 457, "lc_elution_comment": "", "lc_elution_time": "", "mass_avg": null, "mass_monoiso": null, "mass_prot": null, "name": "N-(2,2-dimethoxyethyl)-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphonamidicacid", "new_abbrev": "\u4f68", "product_ions": "", "reference_moiety": [ "U" ], "short_name": "MU4", "smile": "COC(CNP(=O)(O)OC[C@H]2O[C@H](n1cc(C)c(=O)[nH]c1=O)C[C@@H]2O)OC" }, "458": { "formula": "C9H12N5O6P", "id": 458, "lc_elution_comment": "", "lc_elution_time": "", "mass_avg": null, "mass_monoiso": null, "mass_prot": null, "name": "[(2R,3S,5R)-5-(6-amino-8-deuteriopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]phosphonicacid", "new_abbrev": "\u4e83", "product_ions": "", "reference_moiety": [ "A" ], "short_name": "AD2", "smile": "[2H]c2nc1c(N)ncnc1n2[C@@H]3O[C@H](P(=O)(O)O)[C@@H](O)C3O" } }