HMDB0011246 RDKit 3D PC(P-18:0/18:3(9Z,12Z,15Z)) 135134 0 0 0 0 0 0 0 0999 V2000 14.7921 -5.8343 1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3708 -6.4662 1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9767 -6.6112 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9440 -6.0937 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8888 -5.2591 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7829 -4.8867 1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8474 -3.7044 2.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 -2.4897 1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9403 -1.5503 1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1308 -1.1116 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2794 -1.5389 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 -2.2863 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8896 -1.6637 -1.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1378 -1.3146 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 -0.7695 -1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9152 0.4665 -1.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6148 1.0793 -2.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8115 1.4770 -1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 1.3061 0.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 2.1035 -1.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 2.4540 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 1.7647 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 0.4365 -0.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.7452 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 -1.0889 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -0.0813 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -0.0198 -1.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6667 -1.3125 -2.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6268 -1.8376 -1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7598 -0.9659 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6685 -0.5036 -1.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4106 -1.4360 -2.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3687 -2.3982 -1.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4263 -1.6650 -1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4405 -2.6527 -0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8182 -3.6056 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6051 -4.6630 1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6839 -4.4491 1.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8394 -3.6433 1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9427 -3.6154 2.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4653 -3.0352 3.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6338 3.9660 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 4.4371 -1.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2051 6.1148 -1.0438 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4666 6.4872 -0.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 6.8604 -2.5436 O 0 0 0 0 0 1 0 0 0 0 0 0 1.1087 6.7543 -0.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 8.1038 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 8.6725 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 10.0976 1.0639 N 0 0 0 0 0 4 0 0 0 0 0 0 2.5759 10.7941 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 10.4563 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5459 10.5320 2.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7672 -4.8422 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4435 -6.5130 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0903 -5.7133 2.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7612 -5.8519 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5503 -7.4926 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6891 -7.2577 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8598 -6.3554 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8661 -5.7797 -0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8129 -4.3686 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5724 -5.7167 2.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7504 -3.5546 3.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9645 -1.9604 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3612 -2.6603 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7414 -1.1634 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3976 -0.3846 0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4484 -0.5297 -1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2980 -2.0054 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 -3.2246 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 -2.7013 -2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2338 -2.3816 -2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 -0.7613 -2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -0.4273 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 -2.1915 -0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1915 -0.5960 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2134 -1.5590 -1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4951 0.3182 -2.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5383 1.2262 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 2.0276 -2.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 0.4186 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2979 2.1447 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0613 2.1551 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 2.1432 0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 -1.6289 -0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4299 -2.1524 -0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8252 0.9355 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8581 -0.3098 0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 0.1575 -2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6999 0.8353 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8295 -2.0723 -2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0581 -1.2904 -3.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9535 -2.8539 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -2.0714 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3284 -1.4110 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3119 -0.0371 -0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1385 0.2447 -2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4299 0.1762 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0156 -0.8862 -3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7087 -2.0621 -3.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8922 -2.9251 -2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8400 -3.1924 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0189 -1.0594 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9769 -1.0340 -1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7377 -3.2651 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3144 -2.0923 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9962 -4.1463 -0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2335 -2.9968 1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9904 -5.3422 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8152 -5.3823 1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0613 -5.5071 2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2994 -4.1104 2.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5186 -2.5707 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2355 -3.9740 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7533 -2.9750 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2668 -4.6636 2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3810 -2.8605 4.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9881 -2.0625 3.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8356 -3.7547 4.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 4.2140 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 4.4405 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 8.6689 -0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 8.2278 0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 8.1552 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0722 8.4860 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 11.8871 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 10.4175 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 10.6520 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4829 11.5375 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 10.3197 0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 9.8949 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 11.6277 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 10.1603 3.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 10.1450 2.4080 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 1 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 2 0 25 26 1 0 26 27 1 0 27 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 24 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 51127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 53135 1 0 M CHG 2 46 -1 50 1 M END