HMDB0113968 RDKit 3D PE-NMe2(16:1(9Z)/18:3(9Z,12Z,15Z)) 125124 0 0 0 0 0 0 0 0999 V2000 10.0267 4.6332 2.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0851 3.7168 3.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 2.3906 3.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9504 1.2664 2.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 1.1489 1.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1393 0.6883 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1808 0.3506 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7575 0.3701 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 -0.9479 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1036 -1.1643 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4993 -0.2051 -1.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 0.0711 -1.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7616 0.6427 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3483 0.9518 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8028 1.9693 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 2.3520 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 1.2171 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 0.5179 -1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 0.7883 -2.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.4690 -1.8352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 -1.1413 -3.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.8006 -3.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 -1.1416 -3.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 -0.6779 -2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 0.1797 -1.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9526 -1.2740 -1.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9884 -0.4945 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0113 0.9780 -2.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0609 1.6075 -2.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2386 3.0565 -2.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6812 3.5564 -1.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0075 3.2210 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3980 1.8657 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7358 1.4884 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7650 2.3359 1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1767 2.4341 2.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7185 1.1037 2.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0681 1.0956 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2073 1.6289 2.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1658 3.0692 2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -2.6475 -2.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5753 -3.0265 -2.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 -4.6691 -1.9834 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3361 -5.4893 -3.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3313 -5.0470 -1.5957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 -5.1236 -0.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -4.8983 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -5.3363 1.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1557 -6.7511 1.5764 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2844 -7.6024 1.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5509 -7.1045 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0118 4.3487 2.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 5.6612 2.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0407 4.4843 1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2957 4.1075 4.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9754 3.8475 2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5745 2.2828 3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3902 0.3200 3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6403 2.1722 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9509 0.5765 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1731 0.6028 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4710 0.0162 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3157 1.0547 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4521 0.9198 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4998 -1.7392 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6974 -2.1956 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4251 -0.8061 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0503 0.6607 -1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 0.7078 -2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5206 -0.9276 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2435 -0.0511 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 1.5941 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 0.0251 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 1.3431 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 1.6261 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 2.8699 -0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3999 2.8929 0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 3.1421 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7584 0.4125 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 1.5863 0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 -0.8125 -3.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 -1.3699 -4.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 0.3015 -4.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 -1.1673 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9501 -2.3181 -1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 -0.6746 -3.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 -0.9801 -2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2504 1.0349 -0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0094 1.3886 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6309 1.4193 -3.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9460 0.9657 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2097 3.5208 -2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 3.5384 -3.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8774 3.3318 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6388 4.7007 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8240 3.6353 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1793 3.8881 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4714 1.0580 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0225 0.4141 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1859 1.7737 2.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2747 3.3012 1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1744 3.1258 3.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7927 2.8438 1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0067 0.6865 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6500 0.3557 1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0367 1.5279 4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3129 -0.0029 3.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1285 1.4760 3.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4440 0.9996 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0302 3.2399 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2146 3.4921 2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5330 3.6811 2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 -2.9151 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3094 -3.1892 -3.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 -4.2242 -1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.3298 0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4524 -3.7785 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9718 -5.1670 2.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 -4.7898 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -7.0608 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 -8.2508 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0784 -8.3012 2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2013 -7.9825 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1244 -7.3560 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -6.2490 0.0650 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 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 21 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 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 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 45115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 50120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 M END