HMDB0112190 RDKit 3D 12-Hydroxyhexadecanoic acid 51 50 0 0 0 0 0 0 0 0999 V2000 -7.6221 -0.6077 1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3361 -0.8057 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6083 0.5153 0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3049 0.4581 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -0.5407 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -0.1929 1.6316 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 -0.6389 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.6496 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1073 0.5596 -1.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8326 -0.4289 -0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -0.5790 -1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9169 0.6842 -1.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 1.2427 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 0.3143 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 -0.0410 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3096 -0.9674 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7426 -0.4163 1.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3844 -1.1336 2.6934 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 0.8750 2.2437 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9381 0.4540 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4234 -1.2912 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4067 -0.7576 2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5897 -1.1583 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 -1.5720 1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2555 1.2441 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4476 0.8319 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8307 1.4616 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4661 0.2340 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7834 -1.5735 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 0.6916 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3642 -0.9812 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4627 -1.4241 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 1.1028 0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 1.3785 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 0.2465 -2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3899 1.5596 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 -0.2548 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -1.4462 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -1.3367 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 -0.9566 -2.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 1.4587 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 0.4445 -2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 2.1588 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 1.5727 0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5644 -0.6100 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3692 0.8081 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2365 -0.5819 -1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0494 0.8782 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2327 -1.2118 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 -1.9463 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7815 1.6298 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 M END