HMDB0007319 RDKit 3D DG(18:3(9Z,12Z,15Z)/22:1(13Z)/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 14.7915 1.9669 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4954 0.9258 -0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4792 0.1566 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5037 -1.1265 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4828 -2.0568 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7980 -2.8036 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5594 -2.9323 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 -2.3695 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4714 -1.5454 -0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0692 -0.2938 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4696 0.4253 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0382 0.8551 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2637 -0.4094 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8476 -0.0623 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1707 0.7091 0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 1.0348 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 -0.1924 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4985 0.2139 -0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 -0.7182 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 1.4926 -0.8606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 1.8759 -1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 1.7621 -0.0674 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0328 2.8572 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 4.0660 0.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 0.5174 0.4723 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 -0.2060 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 0.3364 -0.2025 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -1.5377 0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9552 -2.1506 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0243 -1.3392 1.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -2.0655 1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8284 -2.3382 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1182 -1.3240 -0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2074 -0.3306 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9195 0.6242 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8624 1.6850 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1773 1.6139 1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4140 1.0543 0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4965 -0.3632 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8110 -0.8750 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1472 -0.1216 -1.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5218 -0.6034 -2.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6063 -0.4135 -1.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9036 1.0019 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0164 1.1283 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2681 0.5119 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3675 0.6765 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9963 -0.0022 1.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0091 2.4481 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5990 2.6895 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3739 1.5025 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8004 0.3672 -1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0981 1.5483 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3061 0.7614 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3161 -1.5609 0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0804 -2.8298 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9011 -1.5198 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5519 -3.3696 1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3529 -3.5921 1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7151 -1.9038 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 -3.2612 0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8692 -1.9832 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1916 0.2512 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4258 -0.0880 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0430 1.3783 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6373 1.3963 0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1136 1.4826 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 -0.9695 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2933 -1.0939 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8371 0.5632 -1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2759 -0.9802 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 1.7125 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 0.2199 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7114 1.6150 -0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 1.6034 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8728 -0.8373 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -0.8328 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 2.9302 -1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 1.2654 -2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 2.0374 -0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 2.8652 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 2.7070 1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 4.8598 0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 -2.1929 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 -1.5338 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1572 -2.2097 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9403 -3.1818 1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1527 -0.3204 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 -1.2584 2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0608 -3.1451 1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0759 -1.7777 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1826 -3.1742 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7981 -2.9691 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4707 -1.8593 -1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 -0.7102 -1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0904 -0.9939 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4351 0.2744 -1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 0.1452 1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9745 1.1957 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2726 2.4183 1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8666 2.3951 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1409 1.2550 2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4706 2.7331 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2119 1.2375 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8400 1.6961 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2593 -1.0474 1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8325 -1.9760 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1146 0.9626 -1.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4419 -0.4825 -2.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8210 -0.1169 -3.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3967 -1.7166 -2.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5364 -0.8969 -1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4376 -0.9727 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0563 1.5626 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2188 1.5019 -1.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1902 2.1742 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7033 0.5914 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1453 -0.6040 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6255 0.9369 -1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2802 0.2168 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5884 1.7530 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9113 -0.1817 2.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5680 -1.0029 1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2999 0.5818 2.4159 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 22 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 2 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 6 23 81 1 0 23 82 1 0 24 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 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 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 M END