115244 -OEChem-10051720323D 23 23 0 1 0 0 0 0 0999 V2000 1.6324 0.5175 1.1241 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5368 -0.6414 -0.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 -0.6311 0.0346 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2744 -0.0218 -0.7205 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3405 0.4771 0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 1.4488 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 1.7674 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.9674 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5462 -1.8986 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 -0.0506 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 -0.5278 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 0.4188 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 0.3289 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 1.6067 -1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 2.1319 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 2.5524 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0374 2.1360 -0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -1.3421 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 -0.0669 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 -1.7361 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 -2.2888 1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 -2.6201 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -1.6698 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > DB04284 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CMUNUTVVOOHQPW-LURJTMIESA-N/SDF?record_type=3d > C[N+]1(C)CCC[C@H]1C([O-])=O > InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1 > CMUNUTVVOOHQPW-LURJTMIESA-N > C7H13NO2 > 143.1836 > 143.094628665 > 2 > 23 > 15.05016181177956 > 1 > 0 > 0 > 0 > (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate > -2.24 > -3.8764300881384117 > -2.47 > 0 > 1 > 0 > 2.258526077274334 > 40.129999999999995 > 60.10970000000001 > 1 > 1 > 6.66e-01 g/l > stachydrine > 0 $$$$