HMDB0113681 RDKit 3D PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -16.4773 2.0918 4.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7341 2.3784 2.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0807 1.3072 2.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1332 1.4664 1.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6159 2.8178 0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8309 3.1485 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8985 3.3986 -1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4531 3.3907 -1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8098 2.3574 -1.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1395 1.3376 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9262 1.0710 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6640 1.0352 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4800 1.2897 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2138 1.7121 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5501 3.0559 -1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 3.3626 -1.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4988 2.6037 -2.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7415 1.2620 -2.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9846 0.2236 -2.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 0.2727 -1.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 -0.1878 -2.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 -0.1757 -2.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3256 -0.1081 -2.9562 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -0.2251 -0.8056 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3626 -0.1986 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 -1.3764 -0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 -2.6215 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -3.7332 -0.4948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9166 -5.1523 0.2158 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1958 -4.9914 1.1966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4909 -6.3323 -0.9384 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -5.8074 1.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 -5.4706 2.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 -6.0824 3.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -7.5177 2.9270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 -7.9630 1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 -1.1216 -0.4454 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4729 -0.9989 -1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -1.1313 -2.6404 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.7273 -1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -0.6606 -2.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0063 -0.3616 -2.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8136 -1.3844 -1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2453 -0.9013 -1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2452 -1.7242 -1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9506 -1.7798 0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0213 -2.5637 1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8837 -2.1992 1.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0215 -0.9059 2.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0783 0.1538 2.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3627 1.2974 1.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6775 1.7048 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1555 2.9736 1.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2008 4.1302 1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 4.5048 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0045 5.6819 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1988 2.6315 4.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5852 0.9796 4.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4574 2.3418 4.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5649 3.3989 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8516 2.2107 2.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4057 0.2549 2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7152 0.5743 0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1224 3.6400 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5718 2.8696 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8822 3.1912 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1727 3.6436 -2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9835 4.3649 -1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2715 3.3451 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9255 2.4873 -3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7801 0.6214 -2.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3647 -0.0120 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7024 1.6267 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7251 0.7269 1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5996 1.2100 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9949 1.7315 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4606 0.9600 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0857 3.8322 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 4.4450 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3653 3.2723 -3.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4526 2.7307 -2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6373 1.0966 -3.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3068 -0.7434 -3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8401 -0.4341 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 1.2409 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 0.2927 -3.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8687 -1.2776 -2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 0.7713 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 -0.1182 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0926 -1.4571 -1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 -2.8139 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 -2.4677 0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 -6.7250 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 -4.3629 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 -5.9261 2.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -5.7777 4.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3907 -5.7041 2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 -7.8918 3.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -7.2585 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 -8.9729 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -8.0855 0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 -1.6159 -0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 0.1740 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3714 -1.5901 -3.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 0.1519 -3.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1516 0.6600 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 -0.2459 -3.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4408 -1.3578 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6810 -2.3975 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5796 -0.8019 -2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2170 0.1622 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2877 -2.7470 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2286 -1.2211 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9988 -2.4361 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6535 -0.8329 0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0811 -3.6237 0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6525 -2.9923 2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0822 -0.5200 2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1297 -1.1148 3.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0418 0.0190 2.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4947 1.9958 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4816 2.0011 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4387 0.9384 1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2165 2.8104 3.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1301 3.2358 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2288 3.9379 2.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7296 5.0161 2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5262 3.6722 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9305 4.7895 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2738 5.5364 1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4767 5.6842 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 6.6229 0.4201 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 2 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 2 0 48 49 1 0 49 50 1 0 50 51 2 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 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 31 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 36101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END