4112111 -OEChem-10051721063D 44 43 0 0 0 0 0 0 0999 V2000 5.2683 1.0087 1.0413 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4542 0.0481 0.0712 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6739 -0.5910 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 0.3171 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9984 0.1673 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -0.4956 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -0.7442 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0783 0.4127 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 -0.4000 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 0.4583 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9301 -0.3602 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5937 -0.8456 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 0.7361 -1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1586 0.5463 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4483 -0.2582 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -1.1317 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6344 -1.3471 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 1.0445 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4941 0.8851 0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0374 0.9006 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 0.7410 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -1.0804 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8627 -1.2085 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 -1.3082 -1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 -1.4493 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0574 1.1387 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 0.9825 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3966 -0.9644 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 -1.1381 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5912 1.0573 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6545 1.1656 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9229 -1.0571 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9809 -0.9630 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4845 -0.2205 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7276 -1.6068 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3252 -1.2925 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 -0.0284 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 1.2751 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 1.4436 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1215 1.1343 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1595 1.2555 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5315 -0.8318 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 -0.9571 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3132 0.4094 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 M CHG 2 1 -1 2 1 M END > DB07646 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OZHBUVQCJMARBN-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCCCCCC[N+](C)(C)[O-] > InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3 > OZHBUVQCJMARBN-UHFFFAOYSA-N > C13H29NO > 215.3755 > 215.224914555 > 1 > 44 > 0.0028947331243335418 > 29.010696761415108 > 1 > 0 > 0 > 1 > N,N-dimethylundecanamine oxide > 1.78 > 3.501673951999999 > -5.88 > 0 > 0 > 0 > 0 > 4.4816730616984835 > 23.06 > 68.11359999999999 > 10 > 1 > 2.84e-04 g/l > tetrahydrofolic acid > 1 $$$$