HMDB0008240 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 126125 0 0 0 0 0 0 0 0999 V2000 2.1945 -5.0750 -1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8544 -3.8860 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5644 -4.4408 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3664 -4.1532 1.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -3.1829 2.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9419 -2.0544 2.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 -1.8228 4.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 -2.6211 4.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -1.7960 5.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8296 -2.0362 4.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -3.1593 4.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2584 -3.9714 4.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 -4.2226 4.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7253 -3.7202 2.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9317 -4.9238 1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2058 -4.6944 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3616 -3.9623 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5884 -2.5643 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7219 -2.1168 -0.2445 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8393 -1.5992 0.8401 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 -0.2771 0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5102 0.6365 1.6550 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1890 1.9905 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 2.6903 2.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1735 4.1886 3.1888 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0030 4.6198 4.6105 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8585 3.9587 2.9645 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7232 5.3767 2.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 6.3129 2.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 7.3950 1.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7522 6.8289 0.6089 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7346 5.9059 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7225 6.2372 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1275 7.9379 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 0.8262 1.1932 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 0.5691 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 0.1335 3.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7005 0.7470 1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -0.4266 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 -0.9180 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4017 0.1600 -1.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8621 -0.2581 -2.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 -0.3117 -3.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3959 0.0409 -3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 1.1624 -4.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8535 1.0382 -5.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6228 -0.1890 -5.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5353 -0.5147 -6.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 -0.5951 -7.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9461 -0.3625 -7.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5141 0.7718 -8.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6120 0.6985 -8.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3644 -0.5513 -8.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4525 -1.0711 -10.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -4.6755 -2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -5.5421 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 -5.7795 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 -3.1170 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6016 -3.5057 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -5.1986 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 -4.6559 2.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 -3.6332 2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9492 -2.6758 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 -1.4135 2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0126 -0.9749 4.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 -3.6229 4.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0689 -2.8118 5.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 -0.9286 5.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 -1.3660 5.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4335 -2.7875 3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 -3.9071 3.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 -4.3563 5.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -4.8336 4.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7806 -3.2930 2.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -3.0229 2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0069 -5.5823 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7409 -5.5892 2.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2707 -5.7480 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2684 -4.2984 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3259 -4.5507 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3640 -4.0814 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3520 -0.3796 1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6031 0.0850 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4205 0.2173 2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1727 1.7649 2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3564 2.5542 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 6.7804 3.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9859 5.8625 3.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 8.1063 2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 7.9333 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 6.3013 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 4.8703 1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 5.8335 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7067 6.7283 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 6.2536 -1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 5.1593 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5747 7.5394 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 8.6881 -0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 8.3743 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1176 1.0106 2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5509 1.6870 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 -0.2131 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 -1.2827 1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0444 -1.8196 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5877 -1.2306 -0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 0.9131 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 0.7569 -1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 -0.5349 -2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.6272 -4.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 -0.8950 -3.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7224 0.1402 -2.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4339 2.1774 -4.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1812 1.9342 -5.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -1.0948 -4.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6447 -0.1132 -5.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 -0.6999 -7.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4831 -0.8385 -8.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0114 -0.0413 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5548 -1.2926 -7.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9899 1.7023 -8.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 1.6088 -9.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1737 -1.3343 -8.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4568 -0.2514 -8.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8871 -0.2638 -10.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -1.9658 -10.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4704 -1.4064 -10.6639 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 0 21 83 1 0 22 84 1 1 23 85 1 0 23 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 32 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M CHG 2 27 -1 31 1 M END