HMDB0241600 RDKit 3D 2-Hydroxydocosanoylcarnitine 92 91 0 0 0 0 0 0 0 0999 V2000 6.9313 4.0004 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9747 2.5160 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 2.0022 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4741 0.5405 -0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2765 0.3002 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -1.1299 1.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 -2.1544 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 -2.1514 0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3575 -1.0063 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8277 -1.2017 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -1.2775 1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0505 -1.3939 2.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2204 -2.5193 1.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -2.9406 0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.0475 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6736 -0.8140 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0406 0.1096 -1.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 0.7298 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5016 -0.0939 -1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8387 -0.9190 -2.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0676 -1.7380 -1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -2.4795 -3.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2735 -0.8906 -1.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1979 -0.8526 -2.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -0.0811 -0.6741 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7015 0.7168 -0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2297 2.1444 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2802 2.4962 0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9362 3.7255 0.4997 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7705 1.5889 1.3457 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.4478 0.4377 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6497 1.1488 0.9253 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.3825 1.6414 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4298 2.2762 1.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5550 0.2615 1.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4599 4.6133 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3106 4.0910 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 4.3975 -0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7482 2.4747 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1732 1.9640 -0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1385 2.5663 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5472 2.1940 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4860 0.1609 -0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7163 0.0112 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2313 0.7918 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 0.8247 1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4853 -1.4581 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1821 -1.1508 2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 -2.3164 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9098 -3.1558 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6647 -3.1444 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -2.1912 2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 -0.0243 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5692 -0.9255 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -0.2518 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -2.0564 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8873 -0.3439 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 -2.1322 2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -1.4644 3.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -0.3931 2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -3.4642 2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 -2.4784 2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 -3.3024 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1541 -3.8939 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 -1.8448 0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 -2.6509 -1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6124 -1.1374 -1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 -0.1894 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 -0.3668 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 0.9554 -1.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 1.4847 -2.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 1.4034 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6181 -0.7058 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 0.6896 -0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -1.5992 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 -0.2482 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 -2.4148 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9209 -3.2289 -2.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3214 0.5614 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6385 2.3058 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0526 2.8852 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6765 -0.6788 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8055 0.5755 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3714 2.7731 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1966 1.1863 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4812 1.4392 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4753 2.1746 2.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2942 2.4051 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3929 3.1852 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5885 0.6700 1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1470 0.2228 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5849 -0.7394 1.2313 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 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 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 26 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 6 48 1 0 7 49 1 0 7 50 1 0 8 51 1 0 8 52 1 0 9 53 1 0 9 54 1 0 10 55 1 0 10 56 1 0 11 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 22 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 33 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 35 92 1 0 M CHG 2 30 -1 32 1 M END