4991 -OEChem-10051719173D 26 26 0 0 0 0 0 0 0999 V2000 -0.8380 0.1926 -0.7586 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 -0.1407 1.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 -0.7226 -0.0516 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0301 -0.1554 -0.0661 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 0.3106 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -0.8185 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 0.5161 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0098 1.5493 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3527 1.6571 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4689 -1.9074 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 -0.0436 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0636 -0.4025 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 -0.0349 -1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9271 -1.8081 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 0.5409 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 2.4333 -0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 2.6235 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 -2.0166 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2455 -1.7830 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8599 -2.7802 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 0.4239 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 -0.4814 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5743 -1.3376 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1949 0.7963 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9898 -0.9640 -1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6676 0.1483 -2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 M CHG 1 3 1 M END > DB00545 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RVOLLAQWKVFTGE-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)C(=O)OC1=C[N+](C)=CC=C1 > InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1 > RVOLLAQWKVFTGE-UHFFFAOYSA-N > C9H13N2O2 > 181.2117 > 181.09770267 > 1 > 26 > 1.0 > 19.439978911383495 > 1 > 0 > 1 > 0 > 3-[(dimethylcarbamoyl)oxy]-1-methylpyridin-1-ium > -3.13 > -3.4667273988050784 > -2.32 > 0 > 1 > 1 > 1 > 33.42 > 49.659 > 2 > 1 > 1.04e+00 g/l > tetrahydrofolic acid > 1 $$$$