5287692 -OEChem-10051721013D 25 25 0 1 0 0 0 0 0999 V2000 2.0147 2.1078 0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5741 1.4315 -1.5498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 -0.4313 -0.4451 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6613 -0.2986 0.0511 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 0.4249 0.6479 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5633 -0.5038 1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -1.6365 0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6696 -2.3731 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3311 -1.4104 -0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 1.3562 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9992 0.0969 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 1.2364 1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 1.0547 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1943 -0.9560 2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 0.0499 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 -2.3355 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4502 -1.2312 -0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 -3.1527 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 -2.8724 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 -0.9949 -1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2378 -1.9627 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3672 1.4435 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7721 2.1421 0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0021 0.9667 2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 2.7224 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 25 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 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 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > DB07384 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JACZWLDAHFCGCC-ZETCQYMHSA-N/SDF?record_type=3d > [H][C@]1(CCCCN1C(C)=O)C(O)=O > InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1 > JACZWLDAHFCGCC-ZETCQYMHSA-N > C8H13NO3 > 171.1937 > 171.089543287 > 3 > 25 > -0.9990056240880348 > 17.43656346033456 > 1 > 1 > 0 > 1 > (2S)-1-acetylpiperidine-2-carboxylic acid > 0.16 > -0.042630469000000115 > 0.25 > 0 > -1 > 1 > -1 > 3.997982781822872 > -1.5670431959366102 > 57.61 > 42.23120000000001 > 1 > 1 > 3.03e+02 g/l > biotin > 0 $$$$