HMDB0294297 RDKit 3D CDP-DG(i-22:0/20:3(5Z,11Z,14Z)-O(8,9)) 168170 0 0 0 0 0 0 0 0999 V2000 6.0682 2.9764 2.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6288 4.0273 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9065 3.3532 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5842 2.7918 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7943 2.1090 -1.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7529 1.0081 -1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4608 -0.2319 -1.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 -0.6807 -2.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -1.6624 -1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5808 -2.2214 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -2.0383 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 -1.5660 2.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5565 -0.2474 1.8513 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 -1.3763 2.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -1.8994 2.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 -1.4485 3.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7934 -2.2183 3.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9321 -3.6669 3.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -4.4228 3.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9018 -4.2541 2.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5573 -3.0090 1.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7145 -3.1448 1.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 -1.7107 1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 -0.6272 1.4607 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2469 0.1487 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8106 1.2014 -0.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 2.4288 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 2.8235 1.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8881 3.3662 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3785 3.2374 -0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9574 1.9136 -1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 1.2867 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6382 1.0652 -3.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 0.2552 -4.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4968 0.1878 -5.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4523 -0.6271 -6.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 -0.5935 -6.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 -1.0370 -5.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 -1.0226 -6.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 0.2307 -7.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 1.4560 -6.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 2.5967 -7.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 3.1245 -8.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3077 3.6489 -8.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1465 4.3055 -9.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 3.5223 -10.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 2.4627 -10.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 1.8869 -12.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 1.2878 -10.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 0.1410 2.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4775 0.7138 3.3811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 1.5539 4.7245 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8273 0.7711 5.9995 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 3.0960 4.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7688 1.6523 4.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6214 1.1217 5.8830 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.8577 0.3880 5.3907 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1876 2.4857 6.7249 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 0.1164 6.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3442 -1.0918 7.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 -2.0667 7.9625 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3802 -2.4092 7.4805 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -2.9354 8.5976 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3220 -3.1239 8.3488 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -2.3303 7.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 -2.6306 7.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3691 -3.6951 8.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7409 -3.9536 7.8501 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 -4.4700 8.8185 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 -4.1872 8.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -4.9434 9.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0266 -1.9205 9.6678 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0029 -2.5132 10.9319 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -1.4095 9.3026 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3266 -1.9007 10.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 3.1547 3.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 3.0203 2.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3965 1.9694 2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8965 4.8313 1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 4.4606 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3275 4.0626 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 2.5343 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0732 2.1658 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 3.7016 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2318 2.8733 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 1.8850 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7729 1.2679 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3373 -0.9448 -1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4253 -1.1845 -3.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 0.1633 -2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 -1.9756 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8011 -2.9836 0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -3.0945 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5472 -1.4768 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1703 -1.3032 2.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9746 -0.9985 3.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 -2.9706 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -1.3968 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 -0.3443 3.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -1.7157 4.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 -4.0746 3.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -4.0016 4.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0865 -5.5403 3.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -4.2712 4.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 -5.1182 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 -4.5494 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 -1.0276 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -0.5472 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2603 0.4688 0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4207 3.2684 -1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 4.3947 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6456 3.4989 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 4.0718 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5053 1.2010 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0595 1.8895 -0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4815 0.3000 -2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5717 1.8717 -3.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 0.5402 -2.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1993 2.0201 -3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1937 -0.7541 -4.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5922 0.8113 -5.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1994 1.2278 -5.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8069 -0.2110 -4.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8354 -1.6625 -6.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 -0.1109 -7.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 -1.2198 -7.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 0.4480 -7.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1931 -2.1118 -5.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.4991 -4.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -1.3301 -5.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3247 -1.8636 -7.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 0.0857 -7.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 0.4438 -8.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 1.2653 -5.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 1.7687 -6.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 3.4682 -6.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 2.2829 -7.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 2.4120 -9.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3112 4.0013 -8.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 2.8751 -8.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 4.4506 -7.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 5.2776 -9.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 4.7464 -9.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 4.2189 -11.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 3.0517 -11.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2854 2.9291 -11.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8065 1.1375 -12.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 1.4012 -12.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 2.7354 -13.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8391 1.4030 -9.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 0.8218 -9.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 0.4621 -10.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3056 0.8576 2.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0182 -0.6334 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 3.0831 5.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0894 2.3694 7.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3276 -0.8399 7.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5782 -1.5540 6.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3069 -2.9501 8.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -3.9001 8.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 -1.4997 7.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 -1.9954 6.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 -4.9262 7.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4031 -3.1870 7.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 -1.0716 9.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 -2.3074 11.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 -0.3010 9.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4044 -2.8866 9.9978 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 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 47 49 1 0 24 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 67 69 2 0 69 70 1 0 70 71 2 0 63 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 14 12 1 0 74 61 1 0 70 64 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 20105 1 0 20106 1 0 24107 1 6 25108 1 0 25109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 48147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 49152 1 0 50153 1 0 50154 1 0 54155 1 0 58156 1 0 60157 1 0 60158 1 0 61159 1 1 63160 1 1 65161 1 0 66162 1 0 68163 1 0 68164 1 0 72165 1 1 73166 1 0 74167 1 6 75168 1 0 M END