HMDB0011245 RDKit 3D PC(P-18:0/18:3(6Z,9Z,12Z)) 135134 0 0 0 0 0 0 0 0999 V2000 1.9676 -5.4537 -2.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -4.9199 -2.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 -4.1221 -1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 -3.5330 -2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 -2.5086 -3.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 -2.9784 -4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3429 -2.4071 -5.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 -1.1063 -5.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 -0.1217 -6.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 0.4674 -6.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.3340 -7.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3061 1.6529 -7.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4213 2.2272 -6.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3183 1.7055 -5.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1457 2.7058 -4.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 2.7503 -3.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6047 3.7997 -2.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 3.7616 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0124 4.8225 -1.3207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 2.8052 -0.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3688 2.9702 0.5415 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3135 2.8340 1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 2.9928 2.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 2.9039 4.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1655 1.8163 4.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 0.6801 4.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.5018 4.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7346 -1.6853 3.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2102 -2.8289 3.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -4.0309 2.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2345 -3.9325 1.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6656 -3.6123 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0369 -2.2942 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 -2.0034 -1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -0.7580 -1.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 -0.4742 -0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8966 -0.5122 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 -0.1181 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6878 1.2361 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 2.3342 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 3.6989 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5387 2.0556 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4647 2.2364 1.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7692 1.1860 1.2318 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5376 1.5165 -0.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -0.3788 1.0369 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7621 1.2579 2.5801 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1085 1.1195 2.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9104 1.2005 3.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5634 0.1753 4.4787 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.6057 -1.1540 3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5412 0.2573 5.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2476 0.4492 5.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 -6.5293 -2.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8845 -5.2857 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 -4.9115 -2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 -5.8194 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1287 -4.3528 -3.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9265 -4.7615 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 -3.3115 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6111 -3.1272 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0146 -4.3946 -2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 -2.3498 -3.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 -1.4996 -2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6114 -3.9414 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1511 -2.8716 -6.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 -0.7268 -4.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 -1.2700 -5.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2409 0.0731 -5.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 1.1751 -7.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 -0.1007 -8.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -0.3879 -6.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7439 2.2796 -7.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1196 3.2877 -6.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0719 0.7093 -4.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3984 1.5577 -5.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 3.6611 -4.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 2.3291 -3.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 1.7517 -3.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8946 2.8632 -4.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6552 4.8169 -3.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 3.6280 -2.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 4.0083 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8437 1.8406 1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1233 3.5792 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5622 3.7780 4.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 1.7383 5.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 0.8760 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6461 0.3348 5.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8305 -0.1815 3.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4296 -0.7393 5.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 -2.0209 4.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3881 -1.4730 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -3.1742 4.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 -2.5941 2.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 -4.7826 2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0562 -4.5817 3.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -4.9354 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1309 -3.2402 1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4925 -3.5443 -0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 -4.4387 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9525 -2.2801 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 -1.4634 0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8996 -2.8971 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5303 -1.8831 -1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2519 -0.5019 -2.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 0.1277 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 -1.0033 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 0.6374 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9087 -1.5188 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 0.1726 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6139 -0.1814 1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 -0.8982 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7786 1.4405 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 1.3338 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 2.3851 1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8723 2.1608 0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 4.4298 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2445 4.0414 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4986 3.5801 -0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0402 2.2555 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 1.0032 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3756 1.9995 1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 0.2273 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0019 1.1019 3.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8008 2.1799 4.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6095 -1.4615 3.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3690 -1.1989 3.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 -1.8534 4.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0002 1.2824 5.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 0.0035 6.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3540 -0.4743 5.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 0.1797 6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 -0.1624 4.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9646 1.5095 4.9197 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 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 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 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 1 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