HMDB0011227 RDKit 3D PC(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -5.2970 3.8999 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 2.5482 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 1.4376 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6253 1.4643 1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4728 1.4198 2.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5427 2.5451 1.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2802 2.3951 1.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 1.0716 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 0.8551 2.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 -0.1449 3.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5579 -1.1593 3.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 -1.3045 4.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.6520 5.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 0.4817 6.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 0.1759 7.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 0.2149 7.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 0.5703 6.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 -0.4675 6.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -1.0947 5.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1151 -0.9019 4.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 -2.2013 3.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 -2.0970 2.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -2.1530 1.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5575 -1.9266 1.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 -1.8059 0.0543 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1401 -2.9270 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -4.1644 -0.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0105 -5.3793 -0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -6.0737 -1.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 -5.5132 -1.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 -6.3461 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 -5.7466 -1.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7562 -5.6936 -3.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 -5.0590 -3.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 -5.0156 -5.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7111 -4.4047 -5.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 -2.9609 -4.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0197 -2.2949 -5.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1415 -0.8757 -4.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3585 0.1719 -5.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8873 0.0842 -5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 1.3801 -6.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 2.5934 -5.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 -0.4897 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 0.5444 0.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 2.0238 -0.3283 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7587 2.8734 -0.9765 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0881 1.8337 -1.4394 O 0 0 0 0 0 1 0 0 0 0 0 0 4.4690 2.9005 1.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 3.0204 1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9742 3.7627 3.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 5.1064 2.9688 N 0 0 0 0 0 4 0 0 0 0 0 0 4.4022 5.5057 1.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 6.0400 3.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7419 5.2993 3.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 3.7929 -1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8254 4.6906 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4424 4.1514 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5817 2.6240 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7482 2.3855 -2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7949 0.4913 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3582 1.2224 -0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2682 2.3301 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2837 0.5734 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9954 0.4170 2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9528 1.5094 3.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 3.5939 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6426 3.3100 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3206 0.2523 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1497 1.2122 0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 1.5719 2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3526 -0.2451 3.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2897 -1.1865 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 -2.1571 3.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0507 -2.1475 4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 -0.9871 6.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1839 1.3196 6.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7536 0.8762 5.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 -0.1467 8.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 -0.0762 8.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1752 1.5054 7.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 0.8818 5.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 -0.7686 7.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -1.8800 6.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 -0.0394 4.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1649 -0.7280 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7365 -2.5471 4.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4403 -2.9808 4.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -1.8662 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2334 -2.9136 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0431 -2.7202 -1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 -5.8600 -0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -7.0465 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 -4.4741 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 -5.4840 -3.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 -7.3557 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 -6.4363 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 -4.7234 -1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4138 -6.3486 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -6.6739 -3.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -4.9474 -3.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1097 -4.0173 -3.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 -5.6358 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 -6.0410 -5.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -4.4287 -5.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 -4.9133 -4.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9537 -4.4214 -6.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6681 -3.0241 -3.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 -2.4920 -5.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8898 -2.8847 -4.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1763 -2.3445 -6.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8925 -0.7992 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2503 -0.5983 -4.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 1.1615 -5.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 0.2801 -6.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 -0.6888 -6.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 -0.0326 -4.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7981 1.4093 -7.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 1.2908 -6.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 3.4266 -5.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 2.3673 -4.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 2.9649 -5.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0533 -0.3994 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8388 -0.4396 -1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 3.5445 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 1.9743 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 3.1725 3.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 3.7591 3.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4308 5.3867 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 5.0895 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5954 6.6217 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 5.5587 4.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 6.3408 2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 6.9388 3.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 4.5387 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0973 6.2994 3.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6501 5.2794 4.6043 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 25 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 1 26 90 1 0 26 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M CHG 2 48 -1 52 1 M END