HMDB0294066 RDKit 3D CDP-DG(i-19:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 161162 0 0 0 0 0 0 0 0999 V2000 4.1732 2.5266 6.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 3.5317 6.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4636 4.8353 6.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 5.8872 6.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 6.0041 5.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 6.3406 3.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1966 6.5359 3.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 6.4820 3.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 5.3991 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 4.1979 2.7483 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 5.7368 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 4.8593 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 5.2160 -1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 4.3768 -2.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 2.9598 -2.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6185 2.7420 -3.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 1.8544 -4.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 1.0061 -4.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4065 1.2635 -5.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 0.3577 -6.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1059 -1.0468 -6.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -1.3226 -7.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4015 -2.6794 -7.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 -3.6278 -7.8586 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3441 -2.9066 -6.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 -4.0724 -6.0942 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8322 -3.7713 -6.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1797 -2.5758 -5.8847 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 -2.0127 -6.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1971 -2.6167 -6.8841 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8179 -0.7350 -5.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 -0.9026 -4.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2319 0.4363 -3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 1.1188 -3.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4882 0.3454 -1.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 1.1935 -1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 0.5025 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 1.4285 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 1.1000 1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9216 0.8871 2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1023 -0.2966 2.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 -0.2879 4.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9377 -0.3255 5.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 -0.3577 6.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3635 0.8395 7.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 0.7044 8.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 0.6600 9.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 1.8846 8.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 -4.4639 -4.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 -4.6851 -3.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1556 -5.1452 -2.4004 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2930 -5.8788 -1.7475 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -6.2986 -2.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -3.8441 -1.5075 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4085 -4.4072 -0.2472 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7976 -5.8465 -0.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4359 -4.3964 1.2287 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7219 -3.3977 -0.0734 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9518 -4.0295 -0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0029 -2.9879 -0.1561 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3101 -3.4315 -0.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0004 -2.2460 -0.0876 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4154 -2.3416 -0.2191 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1403 -1.2267 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5266 -1.2461 -0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1882 -2.4578 -0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6128 -2.5230 -0.6017 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4238 -3.5697 -0.3579 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0687 -3.5119 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3870 -4.5666 -0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5535 -2.0629 1.3513 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5341 -0.7111 1.6589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1535 -2.6407 1.3168 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2026 -1.7053 1.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1406 2.7656 6.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 2.5973 4.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 1.4851 6.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 3.4714 6.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 3.1649 7.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 4.8980 7.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3533 6.8222 6.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 5.0795 5.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8334 6.7984 5.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 6.4518 3.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4676 6.8036 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3806 6.2963 4.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3241 7.4819 3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1588 5.3038 2.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1696 3.4976 2.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 6.7455 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 3.8737 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 6.2823 -1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 4.7193 -3.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 2.7739 -1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 2.3984 -2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 3.3880 -2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 1.7178 -4.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -0.0500 -4.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 1.0796 -3.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 2.2794 -5.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 0.6203 -7.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9383 -1.3912 -5.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 -1.6451 -6.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 -1.2761 -8.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 -0.5096 -7.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -4.9653 -6.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 -3.5102 -7.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -4.6126 -6.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 0.0229 -6.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -0.3528 -4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8375 -1.2740 -4.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 -1.6607 -3.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 1.0938 -4.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1598 0.3905 -3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 2.0683 -2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 1.3067 -3.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2606 0.1817 -1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 -0.6372 -2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 1.3983 -2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8006 2.1305 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4861 0.4147 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 -0.4445 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9865 1.7828 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 2.4492 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 1.8747 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9843 0.1868 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 0.8249 3.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 1.8448 3.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 -1.2665 2.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 -0.4237 2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8212 0.6701 4.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 -1.1897 4.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 -1.1947 5.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 0.6006 5.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1706 -1.2531 6.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 -0.4722 7.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3149 0.8876 6.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 1.8085 6.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -0.2181 8.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 1.1253 8.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 1.1832 10.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7823 -0.4083 9.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 2.7778 8.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 1.6734 8.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 2.1795 10.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1115 -3.7378 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -5.4106 -4.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 -5.8130 -2.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 -5.2400 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 -4.8148 0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -4.4825 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8829 -2.0655 -0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5676 -1.4544 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6619 -0.2638 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1098 -0.3318 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1587 -1.9135 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1385 -3.2142 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2183 -2.6320 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7383 -0.2613 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0768 -3.5720 1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3754 -1.2335 2.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 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 1 0 29 30 2 0 29 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 26 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 66 68 2 0 68 69 1 0 69 70 2 0 62 71 1 0 71 72 1 0 71 73 1 0 73 74 1 0 73 60 1 0 69 63 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 15 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 19100 1 0 20101 1 0 21102 1 0 21103 1 0 22104 1 0 22105 1 0 26106 1 6 27107 1 0 27108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 46139 1 0 47140 1 0 47141 1 0 47142 1 0 48143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 53148 1 0 57149 1 0 59150 1 0 59151 1 0 60152 1 6 62153 1 6 64154 1 0 65155 1 0 67156 1 0 67157 1 0 71158 1 1 72159 1 0 73160 1 1 74161 1 0 M END