HMDB0114656 RDKit 3D PE-NMe2(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -0.2165 -4.2579 0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -4.6392 2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 -5.9128 2.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -6.1343 2.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 -5.0792 3.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 -5.6061 4.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3629 -5.0039 5.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7362 -3.6630 6.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5705 -2.8495 6.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1129 -1.7279 6.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0377 -1.0190 5.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 0.3133 5.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 0.7160 5.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 -0.1330 4.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 0.6293 2.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 0.8098 2.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 0.3458 2.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 -0.5805 1.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 0.1232 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 -0.8434 -0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4164 -0.2547 -2.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 0.3242 -2.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 1.5385 -2.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 -0.4402 -3.6603 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2396 0.0961 -4.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 -0.6018 -3.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1724 -0.3220 -2.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1325 -0.8154 -1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -1.6349 -1.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -0.3533 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2085 -0.8656 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 -0.6820 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2134 0.6375 0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 1.3151 -1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3614 2.6394 -1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1948 3.7682 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 4.1748 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 5.4138 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 5.9995 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4804 6.2920 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 7.0734 0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 6.3707 1.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 7.1747 2.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 6.9115 2.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4247 5.6348 1.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 4.9483 3.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8072 3.7663 3.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1495 3.7885 2.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 4.0597 0.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6981 3.0635 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9927 3.3814 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4306 4.7310 -1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.1655 -5.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1568 -1.5299 -5.9454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 -2.0330 -7.5435 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2797 -0.8787 -8.4997 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3684 -2.8182 -7.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 -3.1532 -7.8414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 -4.4164 -7.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 -5.4866 -7.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9685 -5.2047 -6.8084 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9902 -6.2113 -6.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4019 -5.2495 -5.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 -3.3298 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 -4.1070 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 -5.0717 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 -3.8187 2.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0769 -4.8181 2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -6.7674 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2115 -7.1648 2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 -5.0301 3.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 -4.1263 3.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -6.6107 4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -5.5291 6.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 -3.1821 5.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 -3.8202 6.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -3.2747 7.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 -1.2183 7.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6349 -1.5916 4.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 -0.7536 5.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 0.9343 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9136 1.7128 5.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 -0.2156 4.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9562 -1.1219 3.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4151 1.0216 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 1.3840 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 1.2274 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 -0.2236 3.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -1.4049 1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5042 -0.9728 1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 0.3960 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 1.0460 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 -1.7255 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1531 -1.2084 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 0.5882 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -1.0222 -2.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1217 1.1819 -4.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 -0.2490 -4.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 -1.6896 -3.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 0.7382 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 -0.7220 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 -2.0033 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 -0.5808 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8688 -1.3412 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2548 -1.1900 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 0.4427 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2091 1.3172 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 0.6458 -1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6653 1.4370 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 2.9601 -2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 2.4215 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6627 3.5026 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7319 4.6474 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 3.3338 0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3051 4.2992 -1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3911 5.2035 1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 6.1675 -0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 5.2423 1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 6.9343 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 5.3067 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 6.7902 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6146 8.0646 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4347 7.1120 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2834 6.1020 2.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 5.4064 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 8.2152 2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 7.6805 2.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3053 6.0241 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 5.0341 1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 5.6829 3.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 4.6704 3.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9774 3.4385 4.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 2.8457 2.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8592 4.4426 2.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 2.7475 2.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3317 5.1085 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4903 3.8143 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 3.1304 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9384 2.0508 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4956 2.6122 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1083 3.3680 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0791 5.2940 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1102 5.3485 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 4.5937 -2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 0.3117 -6.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 0.2673 -6.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1325 -2.1895 -7.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -4.4595 -6.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 -4.6063 -8.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 -5.4067 -8.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 -6.4543 -7.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -7.0833 -7.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -5.7331 -7.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 -6.5316 -5.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1578 -5.5471 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -4.2067 -5.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 -5.9536 -5.4433 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 61 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 57147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 62152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 63157 1 0 M END