HMDB0115952 RDKit 3D CDP-DG(16:1(9Z)/18:2(9Z,12Z)) 145146 0 0 0 0 0 0 0 0999 V2000 -5.1808 -7.6874 1.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0924 -8.4222 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7166 -8.9777 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4477 -9.7307 -0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5808 -8.9758 -2.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6505 -7.8516 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -6.6152 -2.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4168 -6.1214 -2.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6187 -5.1449 -1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9603 -3.8986 -1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1758 -3.3587 -3.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1924 -2.2207 -3.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 -1.1016 -2.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 0.0221 -2.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 1.1744 -1.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1814 0.7819 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 1.9412 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 2.9830 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 3.9604 -0.4498 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9128 2.8867 0.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1448 3.7555 0.3728 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2184 3.0593 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 2.6772 -1.6875 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 3.5097 -2.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 4.7478 -2.4656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 2.9689 -3.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6426 2.6939 -4.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.9616 -5.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5275 3.4839 -6.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 4.5764 -6.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5069 4.0611 -7.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5535 3.1347 -6.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 3.7466 -5.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5296 3.3118 -4.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 2.1172 -4.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 1.0044 -4.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 -0.0947 -3.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4558 -1.2529 -4.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 -2.3451 -3.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5867 -2.8581 -2.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.2993 1.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 3.2591 2.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 3.9442 3.8100 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2641 3.2410 4.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 5.5967 3.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8714 3.6925 5.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 3.3457 6.5301 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6864 3.8670 7.6249 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1316 4.0368 6.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7654 1.6703 6.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5239 1.0408 6.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 -0.4562 6.7857 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2078 -0.7380 8.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -1.1785 8.8557 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1845 -0.4135 10.0834 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 -0.3818 10.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8933 0.3600 12.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 1.0841 12.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 1.8421 13.6172 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 1.0193 11.5869 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 0.2920 10.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 0.2868 9.7113 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 -1.1420 8.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 -2.2872 8.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6473 -1.0974 6.6774 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5143 -0.3619 5.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0161 -6.9522 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3899 -8.4294 2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 -7.1663 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3739 -7.6784 -0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -9.2323 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5521 -9.6681 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9678 -8.1660 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3928 -10.1363 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0897 -10.6558 -0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6293 -8.7884 -2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 -9.7220 -3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5664 -8.1022 -2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2066 -5.8556 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1232 -6.9652 -2.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -5.7074 -3.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 -5.4777 -0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0935 -3.2121 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2191 -4.0359 -3.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1939 -2.8414 -3.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4229 -1.8181 -4.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1501 -2.5772 -3.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1609 -1.4844 -1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 -0.6662 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3532 -0.3967 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 0.3863 -3.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 1.6739 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7105 1.9205 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 0.3088 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 0.0264 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2366 2.3949 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 1.5860 1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 4.6089 -0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0351 3.8084 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5778 2.1292 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 2.0081 -3.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2106 3.6891 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2812 1.9045 -4.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1878 2.3601 -5.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 4.6077 -5.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 4.3775 -4.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 2.9904 -7.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 2.6872 -5.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 5.3358 -7.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 5.0985 -5.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 3.5077 -8.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 4.9647 -7.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 2.1183 -6.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 3.0026 -7.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 4.7674 -6.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 4.0511 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6519 2.3369 -2.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1198 1.6372 -3.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 0.4195 -5.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 1.2302 -4.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.3880 -2.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -0.3665 -3.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 -0.8803 -4.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 -1.6655 -4.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 -1.9396 -2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -3.1603 -3.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 -3.0702 -3.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4198 -3.7866 -1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 -2.0432 -1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 5.0855 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 4.7701 2.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3309 6.0394 4.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 4.6833 7.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 1.4564 7.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 1.2177 5.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4186 -0.8411 6.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -2.2687 9.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7624 -0.9414 10.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7663 0.3804 12.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 2.8635 13.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.3680 14.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.2015 8.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 -2.9784 8.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5242 -2.1415 6.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 -0.9719 5.1210 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 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 2 0 47 49 1 0 47 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 56 57 2 0 57 58 1 0 58 59 1 0 58 60 2 0 60 61 1 0 61 62 2 0 54 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 65 52 1 0 61 55 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 21 98 1 6 22 99 1 0 22100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 45132 1 0 49133 1 0 51134 1 0 51135 1 0 52136 1 6 54137 1 1 56138 1 0 57139 1 0 59140 1 0 59141 1 0 63142 1 0 64143 1 0 65144 1 6 66145 1 0 M END