HMDB0276881 RDKit 3D PI(18:3(9Z,12Z,15Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 139139 0 0 0 0 0 0 0 0999 V2000 -8.0183 -6.9099 4.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6550 -6.6094 3.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6436 -6.9122 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1135 -6.1032 1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4447 -4.7228 1.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 -3.6303 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2946 -3.6248 1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5482 -4.8605 2.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 -5.1319 1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 -5.2360 1.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 -5.1065 3.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -3.9679 3.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5111 -4.1719 2.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.9728 2.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -2.9784 2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -3.0332 0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -1.8943 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 -2.0319 -1.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0553 -3.0112 -1.8632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8248 -1.1798 -2.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 -1.4074 -3.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 -0.3238 -4.6249 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8757 1.0166 -4.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 0.9984 -4.5028 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 2.4520 -4.0239 P 0 0 0 0 0 5 0 0 0 0 0 0 5.3885 2.3977 -4.6558 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 3.7159 -4.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 2.3568 -2.3544 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 2.5628 -1.7786 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3368 3.6874 -0.7798 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4371 4.9071 -1.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6335 3.5238 0.0006 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0366 4.6835 0.6169 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 2.3625 0.9674 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7802 1.8995 1.3051 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 1.2393 0.3234 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4068 1.2485 0.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 1.2738 -1.1820 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1443 0.1914 -1.6947 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 -0.4508 -4.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9721 -0.8879 -5.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 -1.1683 -6.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 -1.0636 -5.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 -0.5904 -3.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 -1.1987 -2.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8884 -0.7575 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1869 -0.0496 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8772 0.3167 0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 1.0245 1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8978 1.4880 1.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 0.6090 1.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 2.8292 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 3.7920 1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2933 4.9281 2.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 5.5928 1.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1396 5.0426 1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7074 5.5927 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 6.8029 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 6.4297 -1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1641 5.3604 -1.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 4.9431 -3.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 3.8613 -3.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9914 -6.4874 4.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6129 -6.5177 5.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8894 -8.0155 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1301 -5.6435 3.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4661 -7.3973 3.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2765 -7.9613 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3721 -6.5485 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3549 -4.5263 1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9953 -4.5572 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9794 -2.6009 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -2.6357 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1067 -5.6984 2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0023 -4.5207 3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5904 -5.2560 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -5.4421 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 -5.1388 3.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 -6.0345 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -2.9763 3.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4972 -4.0367 4.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -5.1088 2.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 -4.1977 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4529 -2.9384 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 -2.0811 2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 -3.8929 2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3187 -2.1238 2.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -4.0232 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -2.9798 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -1.9133 0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5824 -0.9500 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 -2.4155 -4.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 -1.4081 -4.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5931 -0.5834 -5.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 1.2298 -3.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.7821 -4.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 4.2741 -3.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0198 2.8234 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 3.6644 -0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3488 4.9523 -1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4067 3.2257 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1103 5.4228 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 2.7163 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4032 2.6227 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 0.2880 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 1.3179 1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9196 1.1215 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6432 -0.6343 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 -2.1138 -5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9286 -0.4560 -5.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0269 -0.8976 -3.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 0.5233 -3.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -2.3119 -2.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -1.0654 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 -1.0171 -1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 0.1864 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -0.0088 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8811 1.2556 2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5651 1.8350 2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 0.7973 1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 3.0105 0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4804 2.5918 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 3.5028 1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0827 5.5526 2.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 6.6837 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 5.7511 3.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 4.1175 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5964 5.0632 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 7.5851 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 7.3092 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8121 5.9502 -2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 7.3041 -2.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 4.4670 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 5.7980 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8822 5.8327 -3.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 4.5148 -3.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 4.2615 -2.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2245 3.1071 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 3.4156 -4.1320 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 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 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 22 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 38 29 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 0 21 93 1 0 22 94 1 6 23 95 1 0 23 96 1 0 27 97 1 0 29 98 1 6 30 99 1 1 31100 1 0 32101 1 6 33102 1 0 34103 1 1 35104 1 0 36105 1 1 37106 1 0 38107 1 1 39108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 62139 1 0 M END