HMDB0009077 RDKit 3D PE(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 133132 0 0 0 0 0 0 0 0999 V2000 5.7018 1.9016 5.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2227 1.8225 5.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9472 0.3980 5.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 -0.3709 5.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 -0.0122 4.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3416 -0.8922 3.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -0.5268 1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 0.8446 1.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0804 0.9688 0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 1.8238 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9513 2.8773 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 4.2326 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 5.1904 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 5.1319 1.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 5.6563 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 5.1522 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5131 3.7992 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 3.0314 -0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 3.7825 -1.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 3.2733 -3.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1365 2.8034 -4.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8038 1.5208 -3.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 1.1963 -5.0462 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 0.5345 -3.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 -0.6842 -3.1924 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4100 -1.7867 -3.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 -1.9067 -2.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 -2.2837 -0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -2.6313 -0.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 -2.2920 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0176 -2.8444 1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8791 -2.9489 2.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1285 -3.7099 2.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -3.1983 1.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -1.8175 2.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0613 -1.5037 1.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4511 -0.2131 2.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7972 0.8313 1.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9193 1.0485 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0371 2.1296 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5873 1.9223 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0608 1.0146 -1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 -0.3961 -1.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6573 -0.8975 -3.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 -2.3531 -3.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1972 -2.8288 -4.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -0.9991 -2.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -2.2950 -2.6719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4273 -2.8587 -1.9326 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6721 -2.5026 -2.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6704 -2.3820 -0.3408 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4031 -4.5896 -1.8771 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -4.9812 -1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9675 -6.4696 -1.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5793 -6.7352 -0.9943 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.6003 6.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9839 2.9225 4.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9482 1.1780 4.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0925 2.3817 6.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 2.2503 4.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 -0.0345 6.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 -1.4162 5.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1274 -0.1674 4.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2741 1.0411 3.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2401 -1.9881 3.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -1.3796 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 1.6054 1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 0.9253 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3137 0.2529 -0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 1.7851 0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8813 2.6887 2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0655 2.7263 2.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 4.4066 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5811 6.2110 0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 4.1697 2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 5.8543 2.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 6.7245 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4433 5.8327 -0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 3.1800 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5601 3.7964 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 2.9234 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 2.0517 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3637 3.9980 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 4.8654 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 2.4808 -2.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 4.1010 -3.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 3.6132 -4.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4867 2.7470 -5.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 -0.6525 -4.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 -1.6520 -4.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9941 -2.7370 -3.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2532 -2.9821 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 -1.2741 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -2.1759 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5532 -3.8774 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -3.4004 3.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0772 -1.8864 2.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9402 -4.7663 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5167 -3.9341 3.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2051 -3.8391 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -3.2038 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7806 -1.7707 3.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9468 -1.0623 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8725 -1.5594 0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7462 -2.3128 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4313 -0.1757 3.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0593 1.7711 1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9871 1.4788 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9828 0.1287 -0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1894 2.9974 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4846 2.5642 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 1.6117 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 2.9080 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9146 1.0240 -1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1196 1.4616 -2.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4501 -0.6670 -2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0218 -1.0640 -1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1766 -0.3626 -3.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6194 -0.6196 -3.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -2.4520 -3.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7193 -2.9301 -2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1278 -3.0198 -4.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 -2.0684 -5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7073 -3.7532 -4.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -0.3435 -2.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -0.8724 -1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 -2.5856 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 -4.5451 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 -4.6122 -2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6216 -6.9512 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -6.9482 -2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4606 -6.3802 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9574 -6.1304 -1.6097 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 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 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 51127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 M END