HMDB0285895 RDKit 3D PC(16:0/20:3(5Z,11Z,14Z)-O(8,9)) 135135 0 0 0 0 0 0 0 0999 V2000 8.4533 2.8395 5.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5186 3.6797 6.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4077 5.1073 5.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8612 5.4775 4.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5538 4.9508 3.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8916 5.5327 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 4.8439 1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2016 3.3490 1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7569 3.0625 1.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0966 2.4037 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6403 1.7953 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 0.3232 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 0.3133 -0.5071 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4177 -0.4267 -1.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 -0.2923 -2.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 0.9452 -3.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1573 0.9818 -3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 -0.1916 -3.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -0.0079 -2.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 1.2128 -3.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 1.3308 -2.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 1.3619 -1.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2297 1.4073 -2.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 1.5022 -1.8293 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8719 0.0590 -1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7904 -0.6600 -1.1752 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 -2.0271 -0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7218 -2.7007 -1.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4941 -2.6275 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 -4.1280 -0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 -4.5239 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8467 -5.9880 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -6.5566 -1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 -8.0220 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 -8.3809 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 -7.6956 -1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 -8.0936 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4826 -7.7509 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8359 -8.1945 1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 -7.5794 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3441 -8.0096 0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4152 -7.2996 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7745 -7.7315 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3047 2.5260 -2.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2762 2.5351 -1.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3873 3.7686 -1.2648 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.3630 3.7538 -0.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2502 3.5638 -2.7067 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.6688 5.2884 -1.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9103 5.5861 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3403 6.9505 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2517 8.0460 -0.3413 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.4493 9.2804 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2373 8.0943 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8823 8.2229 -1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2002 3.4418 4.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9613 2.1059 4.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 2.2025 6.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8237 3.6146 7.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4851 3.2334 6.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4175 5.6390 6.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7543 5.6309 6.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 5.2126 4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 6.6113 4.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5908 5.4144 3.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 3.8885 3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9582 6.6490 2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8506 5.3909 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 3.0296 0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7846 2.8660 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1724 3.4530 2.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 2.2413 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 1.8056 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3395 2.2992 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7393 -0.1542 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 -1.5501 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 -0.2870 -3.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -1.2367 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9774 1.8987 -3.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 1.9531 -4.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1645 -0.2138 -4.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7293 -1.1611 -3.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -0.9259 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 0.1500 -1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 2.0927 -3.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2082 1.0918 -4.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8033 1.6302 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 -0.2774 -2.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6414 0.1494 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3384 -2.3395 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 -2.2087 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 -4.5135 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -4.5155 -1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -4.0102 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -4.0730 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9075 -6.1487 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -6.5461 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7999 -6.3905 -1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 -6.0473 -1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 -8.6831 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 -8.2545 -2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -9.4706 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -8.1496 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 -6.5837 -1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 -8.0104 -2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -7.6058 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -9.1990 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 -6.6493 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 -8.1799 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -7.8780 2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9379 -9.3013 1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9437 -6.4723 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9121 -7.8634 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5068 -7.7590 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 -9.0946 0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3198 -6.1979 0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -7.5288 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7206 -8.7399 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4581 -7.8583 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2179 -7.0169 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9005 2.3656 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8829 3.5324 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0326 4.8727 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4191 5.3933 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 7.1733 0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6622 7.0581 -1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 9.0985 0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0902 10.1722 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7904 9.3931 -1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0954 7.4385 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6590 9.1416 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7475 7.9993 1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5652 9.0682 -1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0806 8.3667 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4554 7.3272 -1.9445 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 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 24 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 14 12 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 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 53127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M CHG 2 48 -1 52 1 M END