HMDB0007800 RDKit 3D DG(24:0/18:3(6Z,9Z,12Z)/0:0) 132131 0 0 0 0 0 0 0 0999 V2000 17.3125 -0.7846 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3075 -0.4215 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9736 -0.5915 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0497 -0.2113 1.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6481 -0.4228 1.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6254 -0.0875 3.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8605 0.8284 3.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9110 1.6520 2.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5385 1.4630 3.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5480 1.0188 2.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6986 0.6439 1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3772 -0.7567 1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4351 -1.1290 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 -0.2099 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1066 -0.3694 -0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3937 0.6464 -1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9127 0.6621 -0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4837 0.9765 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2372 1.2431 1.4356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 0.9835 0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 1.2664 1.9969 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6947 2.5031 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.6441 3.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8654 0.0751 2.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 -0.3634 1.6954 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0682 -1.4364 2.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 -1.9540 3.1882 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -2.0260 1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 -1.3719 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 0.0672 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 0.6775 -1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 0.3082 -2.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -1.0943 -2.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0653 -1.2038 -3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3809 -0.6592 -3.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9319 -1.3296 -2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2775 -0.7413 -1.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2608 -0.9382 -2.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6170 -0.3821 -2.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5210 1.0762 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8410 1.7143 -1.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8825 1.5993 -2.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1723 2.1773 -2.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0789 1.5144 -1.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7857 0.9175 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0601 -0.3947 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7780 -0.8489 1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0382 -1.0302 1.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7664 -1.5153 3.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9317 -0.5624 4.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1693 0.1113 -3.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6379 -1.6047 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3494 -1.1405 -2.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6338 0.6303 -0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0694 -1.0498 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6687 -1.6527 -0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1808 -0.0006 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6972 -0.9516 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3699 0.8294 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5230 -1.5483 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8739 -0.0187 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2914 -0.6296 3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8902 1.0338 4.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0843 1.6711 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 2.7288 3.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3659 1.7331 4.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5690 0.9310 3.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0672 1.3806 0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7101 0.8235 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9531 -1.5455 1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2121 -2.2150 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6326 -0.5755 -1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8429 0.8304 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -0.2565 0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 -1.3813 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6326 0.4859 -2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7787 1.6589 -0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 1.5194 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4135 -0.2376 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 1.4894 2.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 2.4885 1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 3.3842 1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 2.9425 3.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -0.7673 2.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 0.3371 3.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 -3.1157 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 -2.0502 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 -2.0278 -0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -1.3862 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 0.6787 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 0.2387 0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 0.5052 -1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 1.8199 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7181 0.6356 -1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 0.9962 -3.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0933 -1.6259 -3.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4092 -1.7198 -1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7134 -0.7497 -4.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1964 -2.3014 -3.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3369 0.4370 -3.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0767 -0.8135 -4.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 -2.4193 -2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2233 -1.2008 -1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6376 -1.1139 -0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0937 0.3524 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9189 -0.4112 -3.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3857 -2.0321 -3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3823 -0.6379 -3.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8911 -0.9647 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8758 1.1922 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0034 1.6487 -2.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5654 2.8507 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1751 1.5100 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0369 0.5065 -3.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5174 2.0123 -3.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7511 2.3631 -3.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9823 3.2668 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9666 2.2389 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6791 0.6886 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2085 1.6496 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7388 0.7751 0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7917 -1.2011 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1690 -0.4780 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1327 -0.0288 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1309 -1.7436 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6739 -1.7703 1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5282 -0.0347 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7720 -1.5968 3.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3141 -2.5251 3.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5218 -0.0959 5.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4991 0.2701 3.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1062 -1.1531 4.6925 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 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 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 21 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 1 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 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 1 22 81 1 0 22 82 1 0 23 83 1 0 24 84 1 0 24 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 33 97 1 0 34 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 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 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 50132 1 0 M END