HMDB0277656 RDKit 3D PI(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z)) 146146 0 0 0 0 0 0 0 0999 V2000 3.4702 6.5485 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 6.2534 0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 6.1088 2.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 5.0132 2.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 3.7995 2.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 2.6344 2.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 1.5901 3.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 1.3846 3.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9525 1.1905 5.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 0.0930 5.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -1.0752 5.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 -1.3435 5.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 -1.3757 5.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -1.1538 3.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.0107 3.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 0.1767 1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3817 -1.0867 1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -1.1977 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9604 -0.9510 -1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4817 0.3968 -1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 1.0739 -2.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 1.0009 -0.8994 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 2.2825 -1.3102 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5990 2.4037 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1838 1.4671 -2.6533 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 0.1134 -2.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3697 -0.3358 -1.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3081 -0.8914 -3.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 -1.6335 -4.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 -2.6703 -4.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -3.5354 -5.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 -4.8242 -5.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -5.4802 -4.5119 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3385 -4.7636 -3.2702 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 -5.7980 -4.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 -5.3551 -4.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -5.7147 -4.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 -5.2604 -3.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3119 -4.3527 -2.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8948 -4.9689 -1.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -4.4853 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4828 -3.2320 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4715 -2.7246 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0631 -1.4180 -0.7712 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2305 -0.7851 -1.6716 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3416 -1.8068 -1.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9111 -2.6635 -2.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2658 -3.8977 -2.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 -4.6256 -1.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4551 -5.8502 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 3.2724 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6768 3.2363 0.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 4.2715 1.3839 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9761 5.3631 0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 5.0777 1.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8334 3.6050 2.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1897 3.8242 2.7985 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0338 2.6212 2.6209 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0649 2.2648 1.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4482 2.9288 3.1143 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3088 1.9105 2.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4395 3.0402 4.6345 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5651 3.6688 5.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1388 3.6773 5.0855 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2670 2.6820 5.4666 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5739 4.5790 4.0156 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4663 5.2336 4.6018 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0276 5.6085 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 7.2325 0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 7.0157 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 5.3962 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 7.1440 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8432 6.9802 2.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 5.0176 3.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 3.6962 2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 3.8797 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 2.7209 1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7994 0.7653 3.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1565 0.6028 3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 2.3048 3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 1.9817 5.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -0.0290 6.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 -1.1044 4.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -1.9529 5.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3461 -1.5330 6.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3848 -1.5842 5.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 -2.0975 3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7555 -1.1020 3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6057 -0.1979 3.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 0.9539 3.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 0.3710 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4224 1.0806 1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -1.5165 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5291 -1.8587 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7084 -0.4545 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3251 -2.2189 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3993 -1.4053 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 -1.5619 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6721 2.5973 -2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 2.2094 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3227 3.4218 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 -1.6217 -2.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 -0.4263 -4.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 -1.9925 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 -0.8884 -4.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5874 -3.1117 -4.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 -1.9957 -5.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 -3.1736 -6.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 -5.4621 -5.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8412 -6.4513 -4.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -4.6874 -2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2831 -6.4445 -5.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 -4.7110 -3.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 -6.3994 -5.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -5.5401 -4.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 -3.4230 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 -4.1096 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4838 -5.9380 -1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 -5.0462 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1899 -2.6694 -1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 -3.2559 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3060 -0.7594 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3901 -0.5184 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0001 -2.2699 -0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8035 -0.8688 -1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2221 -2.1782 -3.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8636 -4.4120 -3.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0056 -5.0891 -2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6791 -4.0379 -1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8233 -6.3006 -2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2107 -6.5289 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7970 -5.5538 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 4.2822 -0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6521 3.0606 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 5.7567 1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4318 4.5005 1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7166 1.7378 3.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6712 2.8300 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7912 3.8622 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9726 1.6069 1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4431 2.0036 5.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2220 3.8830 4.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3742 4.2922 5.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4252 2.4922 6.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3022 5.3997 3.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8213 4.4875 4.7854 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 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 2 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 66 57 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 32109 1 0 33110 1 1 34111 1 0 35112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 41119 1 0 42120 1 0 43121 1 0 44122 1 1 45123 1 0 46124 1 0 46125 1 0 47126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 55135 1 0 57136 1 6 58137 1 1 59138 1 0 60139 1 6 61140 1 0 62141 1 1 63142 1 0 64143 1 1 65144 1 0 66145 1 6 67146 1 0 M END