HMDB0113540 RDKit 3D PE-NMe(22:1(13Z)/18:0) 146145 0 0 0 0 0 0 0 0999 V2000 7.9263 -3.9893 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5461 -4.1826 1.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2406 -5.5739 1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7907 -5.8858 1.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0477 -5.0057 2.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6637 -5.0966 4.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0212 -4.4383 5.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 -2.9776 5.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9644 -2.1549 5.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9992 -1.1935 4.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9626 -0.7275 3.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3676 -0.8342 1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3682 -0.2838 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9954 -0.9080 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1552 -0.2663 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 -0.7069 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -0.4606 1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 -0.9385 0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 -0.6139 1.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7826 -1.0192 1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8192 -0.7027 2.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 0.7430 2.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 1.5116 2.3334 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7727 1.3844 3.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6724 2.8189 3.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0613 3.3937 2.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5872 3.3644 2.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8989 3.9818 1.2933 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5672 3.9682 1.1100 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.0367 2.5164 1.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2724 4.8988 2.3291 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0188 4.5648 -0.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6686 3.5784 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0264 3.9997 -2.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6543 2.9628 -3.6765 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2208 2.8461 -3.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7178 4.8007 2.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 5.1686 1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 4.2353 0.6542 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3841 6.5178 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7575 6.4448 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 6.2949 -1.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 6.0797 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 4.7138 -2.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 4.4978 -4.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3913 3.1007 -4.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4838 2.1347 -4.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 0.6884 -4.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 0.0939 -5.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 0.3436 -5.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 -0.1409 -5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -1.6417 -4.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6107 -2.1662 -3.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 -3.6714 -3.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 -4.1982 -3.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 -3.7781 -1.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8932 -4.9869 -0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 -3.5720 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5330 -3.3233 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6633 -4.0454 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 -3.4305 2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 -5.7485 2.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 -6.3288 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6754 -6.9673 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3385 -5.7823 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 -5.3754 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0085 -3.9870 2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7715 -6.1886 4.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 -4.7269 4.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -5.0026 5.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 -4.7301 6.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -2.7485 6.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9304 -2.7063 4.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8675 -2.3637 5.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9781 -0.6466 4.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8189 0.3828 3.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9671 -1.1907 3.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 -0.2643 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5723 -1.8679 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -0.4688 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2566 0.8247 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 -0.7191 2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 -1.9965 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6752 -0.4435 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 0.8485 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7059 -1.8009 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2117 -0.2411 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 0.6259 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 -1.0471 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3216 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -2.0190 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 -1.2745 2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 0.3991 2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 -0.5722 0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 -2.1257 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5657 -1.2924 3.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7924 -1.0695 2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6502 3.1130 4.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3952 3.1059 4.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 2.8289 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0577 3.9261 3.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9216 2.3096 2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5975 4.2555 3.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5749 3.3776 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1704 2.6210 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4535 4.9242 -2.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1230 4.1759 -2.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0533 3.1586 -4.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7684 3.7023 -3.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 2.8964 -4.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8531 1.8696 -3.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 6.8120 1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 7.3000 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0892 5.5773 -0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 7.3909 -0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4491 7.2560 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5615 5.5230 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 6.8580 -2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 6.1317 -3.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 3.9920 -2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7697 4.6841 -1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 5.2771 -4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8662 4.6221 -4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 3.0591 -3.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 3.1591 -5.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8936 2.2815 -3.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 2.5228 -4.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7505 0.2831 -3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 0.2393 -4.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5577 0.3419 -6.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 -1.0300 -5.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 -0.3081 -6.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 1.3413 -6.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 0.3394 -4.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 0.0701 -5.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4587 -1.9043 -4.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 -2.1939 -5.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6207 -1.9131 -4.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 -1.6520 -2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 -4.0600 -4.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3306 -4.0897 -3.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5914 -4.0630 -4.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3196 -5.3226 -3.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8284 -2.8057 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5017 -3.6217 -1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 -4.4735 -1.5525 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 1 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 26 37 1 0 37 38 1 0 38 39 2 0 38 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 27101 1 0 27102 1 0 31103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 56146 1 0 M END