HMDB0046175 RDKit 3D TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 171170 0 0 0 0 0 0 0 0999 V2000 10.7953 -2.8657 4.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0836 -2.2057 5.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4499 -0.7745 5.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5631 0.1838 5.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0827 -0.1162 5.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6954 0.4433 4.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7418 1.2952 4.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 1.7884 5.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5135 1.3625 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 2.1871 4.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7499 3.6630 5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 4.3884 3.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5556 5.3250 3.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 5.7480 4.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9114 7.2578 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9062 8.0590 4.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4819 7.6394 4.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 8.2500 3.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 7.7830 1.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 6.3845 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 5.9706 1.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 5.5083 1.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 4.2290 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 3.2437 1.4406 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2005 3.3157 2.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 2.4221 3.5214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 2.4832 3.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 3.4685 3.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 1.3666 4.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5914 1.4928 4.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5126 1.7538 3.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4994 0.8370 2.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7856 -0.6097 2.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1606 -0.8663 2.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3938 -2.3814 3.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2148 -3.0699 1.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4222 -4.5883 1.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1664 -5.1016 0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 -6.6010 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9926 -7.0433 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5688 -6.6692 -1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5658 -7.3500 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 -6.9096 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 -5.4493 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 -5.0689 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0335 -3.5711 1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2277 -3.2781 2.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 1.9031 1.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 1.1218 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 1.7476 0.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -0.2670 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 -0.7564 -1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -0.4942 -2.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.8703 -2.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 1.2472 -4.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 0.3381 -5.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 0.8184 -5.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 0.1874 -5.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 -1.1289 -4.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 -0.8614 -3.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 -1.5212 -3.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 -2.5827 -4.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -3.2505 -5.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 -3.2724 -6.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9194 -2.5522 -7.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8214 -3.5796 -7.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -3.5374 -9.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 -2.5399 -10.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 -1.7698 -10.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4305 -2.3468 3.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8828 -2.7135 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5044 -3.9452 4.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0657 -2.4935 6.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6457 -2.6602 6.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5318 -0.5311 6.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9343 1.2098 5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9526 -1.1991 5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6263 0.3301 6.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2507 0.1102 3.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5162 1.6835 3.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 2.8680 5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1896 1.3406 6.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 0.2705 4.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 1.8225 4.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 3.8992 5.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 3.9367 5.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 4.1472 2.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 5.8122 2.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1676 5.4524 5.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 5.4485 4.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 7.6559 5.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0585 9.1589 4.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1089 8.1581 5.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7264 6.5931 4.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0892 8.1390 3.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 9.3728 3.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 8.4792 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 7.8341 2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 4.1779 -0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 3.8699 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5475 3.4579 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8276 3.0363 3.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 4.3630 3.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 1.2724 5.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 0.3826 3.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7264 2.3039 5.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9179 0.5513 5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5684 1.6972 3.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4658 2.8196 3.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5615 0.9855 1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3043 1.2123 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6122 -1.1122 1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9975 -1.0158 3.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9361 -0.5358 2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3685 -0.3591 3.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4158 -2.4848 3.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6386 -2.7814 3.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9164 -2.6795 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1512 -2.9732 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6987 -5.0432 2.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4793 -4.7564 2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1635 -4.8051 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9524 -4.6441 -0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3660 -6.8876 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6876 -7.1255 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6654 -6.4860 -1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1478 -8.1233 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4957 -5.5927 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 -7.1106 -2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7235 -7.2084 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 -8.4583 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4404 -7.4518 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 -7.1057 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6602 -4.8625 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9452 -5.1998 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 -5.5329 1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1349 -5.4278 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8031 -2.9892 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 -3.2091 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6251 -4.0528 3.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 -2.2960 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -3.3861 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -0.8504 0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3515 -0.6740 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 -1.8971 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 -0.4489 -1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -1.2708 -3.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8423 -0.8018 -1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4275 1.6784 -2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9691 2.2986 -4.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 0.3719 -5.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1853 -0.6692 -4.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.8134 -6.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 0.6205 -5.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -1.3617 -4.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 -1.8576 -5.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 -0.0555 -3.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 -1.1668 -2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1649 -3.4511 -3.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1094 -2.4040 -4.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4407 -3.8682 -5.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0865 -3.8482 -7.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 -2.0302 -6.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -1.8474 -8.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2034 -4.3738 -7.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8508 -4.3624 -9.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3215 -3.1545 -11.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9129 -1.8734 -9.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7283 -2.4972 -10.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 -0.8931 -10.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6164 -1.4081 -11.7762 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 24 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END