HMDB0008114 RDKit 3D PC(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 138137 0 0 0 0 0 0 0 0999 V2000 4.9609 -0.5748 0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 0.3467 2.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 -0.3926 3.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 -1.4766 3.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -1.0328 3.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 -2.2037 4.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6426 -2.6377 3.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 -2.0142 2.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 -2.9922 1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 -2.7790 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -1.4093 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -1.0629 -1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7659 -0.7909 -2.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1752 -0.7459 -3.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4473 0.5460 -3.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 1.4472 -3.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 1.2791 -2.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8595 2.3345 -1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5586 2.6149 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 3.1853 -1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 3.7094 -0.6084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 3.2579 -2.5898 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 3.8074 -3.3759 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5980 2.7885 -4.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 2.1929 -2.9679 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 1.1811 -3.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 0.7334 -4.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 0.5870 -2.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6901 -0.7134 -2.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 -1.3261 -1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1283 -2.6603 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 -3.6628 -2.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5769 -5.0289 -2.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3023 -5.8734 -2.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -7.2468 -3.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 -8.2617 -2.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4193 -8.0961 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1688 -8.6700 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4944 -7.9529 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3167 -8.4135 1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6464 -8.2261 2.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3165 -6.7762 3.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6484 -6.7563 4.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 -7.3161 5.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 4.8912 -4.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 5.9330 -3.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 7.2491 -4.5185 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5160 7.8316 -5.1156 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8123 6.8151 -5.7407 O 0 0 0 0 0 1 0 0 0 0 0 0 2.5370 8.4058 -3.5222 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 7.7179 -2.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7897 8.7317 -1.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 8.1265 -0.4117 N 0 0 0 0 0 4 0 0 0 0 0 0 4.3751 6.6796 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 8.5581 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 8.5228 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 -0.0590 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4829 -1.5224 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -0.8427 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 0.8859 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 1.0966 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7863 0.3784 4.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9296 -0.8100 3.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 -2.0275 4.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9492 -2.2432 2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2279 -0.5262 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -0.3459 4.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9657 -2.7843 5.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -3.5796 3.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -1.8494 2.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4281 -1.0129 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 -4.0388 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -3.5718 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -1.6273 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.6568 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7904 -1.0568 -1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 -0.5500 -3.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -1.4990 -3.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.1360 -2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 0.7810 -4.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 2.4039 -3.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 0.2994 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1449 1.2487 -2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 3.3066 -1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 2.0517 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 3.1340 0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 1.5914 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 4.3279 -2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1069 2.1046 -4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3322 3.4092 -4.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8844 1.3261 -1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5073 0.5224 -1.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8737 -1.3802 -2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3511 -0.4513 -3.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9354 -1.3996 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3767 -0.6361 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 -2.4459 -2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8551 -3.0253 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 -3.7173 -1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4667 -3.2740 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2665 -5.4856 -1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0732 -4.9642 -3.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8739 -5.3889 -3.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 -5.6564 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 -7.4586 -4.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 -9.2964 -2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 -8.8246 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9558 -7.1527 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2816 -9.7468 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 -8.5660 1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2657 -6.8802 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0306 -8.0899 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2612 -7.8018 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6271 -9.4742 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3184 -8.6020 3.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7289 -8.8549 2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7107 -6.2792 2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 -6.2000 3.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 -7.3802 4.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -5.7368 4.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2662 -8.3330 5.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5612 -6.6608 6.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6114 -7.3123 5.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5598 4.5253 -5.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 5.2904 -4.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8165 6.9462 -2.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 7.2441 -1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5658 9.2437 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0071 9.4395 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 6.2735 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3619 6.2560 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8739 6.3228 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1734 7.7139 1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 9.3622 0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3846 9.0097 1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 8.3058 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 9.5981 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4775 7.9767 -0.9778 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 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 2 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 1 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 54130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M CHG 2 49 -1 53 1 M END