HMDB0008963 RDKit 3D PE(16:1(9Z)/18:3(9Z,12Z,15Z)) 119118 0 0 0 0 0 0 0 0999 V2000 15.3462 1.9045 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9113 2.3608 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7303 3.7172 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8959 4.0679 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9782 3.1209 1.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5682 3.4806 1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 2.6973 0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0317 1.3520 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 0.3580 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3605 -0.4065 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1373 -0.3974 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 -0.0948 -1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1305 1.1886 -1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 1.4811 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 0.4739 0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 0.5087 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6553 -0.4905 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3664 -0.3701 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 0.4504 -0.8975 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 -1.1683 0.3761 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 -0.9938 -0.3508 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0828 -0.6880 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 -1.7525 1.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4154 -1.6096 2.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9847 -0.4960 2.2982 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 -2.6573 3.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0831 -2.6156 3.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3391 -2.7647 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5589 -1.7489 2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9241 -2.0240 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1647 -1.0056 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1332 0.4130 0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1826 0.5786 1.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1684 1.4424 1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3357 2.4027 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6751 2.2396 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7867 3.2713 -0.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0645 3.2035 -1.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9848 4.3190 -2.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2334 4.3220 -3.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 -2.2707 -1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 -2.5331 -2.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5613 -3.9233 -2.9027 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5739 -3.4889 -3.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -5.0889 -1.9611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 -4.4482 -3.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5995 -5.2794 -2.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 -5.7482 -3.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 -6.6093 -2.5252 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7160 2.4014 0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9243 2.1482 -1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3566 0.8120 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7563 2.3468 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2789 1.6233 -0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3823 4.5072 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8706 5.1398 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2487 2.0738 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1733 3.3361 2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2149 4.4789 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 3.0029 0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0649 1.0294 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8630 1.4393 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3189 0.3027 1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 -1.1401 0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -1.5114 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9163 0.0728 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6613 -0.2255 -2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1193 -0.9744 -1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 2.0169 -1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 1.3128 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 2.4927 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7541 1.5306 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7816 0.8205 1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -0.5263 0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 1.5092 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6744 0.3448 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 -1.5429 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -0.2217 1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7682 -0.2027 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 -0.5594 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0005 0.2816 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -3.6940 2.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -2.7406 4.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1693 -1.6774 4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1028 -3.4255 4.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4713 -3.7944 2.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2214 -2.6385 3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8298 -1.9310 1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5494 -0.7634 2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6988 -2.0491 2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8424 -3.0220 1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3931 -1.0764 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1482 -1.1771 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1002 0.6587 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2327 1.0599 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1273 -0.1051 2.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8812 1.4560 2.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5122 2.5142 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4256 3.4318 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6820 1.2151 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5243 2.3693 0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5814 4.2825 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9407 3.0589 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1585 2.2110 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9210 3.3877 -1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0534 4.1566 -3.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8164 5.2491 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1176 3.8211 -4.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4921 5.3920 -3.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0419 3.8615 -3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2131 -2.1808 -1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2165 -3.0965 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 -5.5800 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -6.1604 -2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -4.6700 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 -4.9071 -3.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 -6.3462 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 -6.2891 -1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -7.6001 -2.5668 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 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 6 22 80 1 0 22 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 45113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 M END