HMDB0112189 RDKit 3D 11-Hydroxyhexadecanoic acid 51 50 0 0 0 0 0 0 0 0999 V2000 -7.3229 1.0309 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2600 0.3583 -1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9726 -1.0424 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9219 -1.7059 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 -1.0272 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9337 -0.8861 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6653 -0.1546 0.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 -0.2347 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 -0.1460 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 0.4920 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3652 -0.2722 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 0.3810 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6588 -0.4569 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 0.0945 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 0.1583 0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 0.6932 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0383 -0.0718 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 -1.1161 -0.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 0.3796 0.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8772 1.7108 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8947 0.2389 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0253 1.5428 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5972 0.2888 -2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3106 0.9204 -1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7654 -1.0276 0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9025 -1.6837 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2853 -1.8538 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7569 -2.7315 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 -0.0335 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9381 -1.6441 -2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8206 -1.9173 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6266 0.8200 0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6705 0.7593 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9232 -0.8695 -0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 0.4491 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 -1.1643 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 0.4881 2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 1.5469 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4086 -1.3053 0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -0.3734 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 0.4477 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.3845 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 -0.4212 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6295 -1.5039 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6276 -0.5619 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 1.0984 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 -0.8554 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 0.8640 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3753 0.6740 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0781 1.7937 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0845 -0.3230 0.2356 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 6 7 1 0 6 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 5 30 1 0 6 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