HMDB0007271 RDKit 3D DG(18:3(6Z,9Z,12Z)/15:0/0:0) 105104 0 0 0 0 0 0 0 0999 V2000 -8.8792 -0.8263 4.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8099 -1.8229 4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4890 -1.3183 4.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0641 -0.6826 2.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8022 0.4771 2.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0559 0.0403 1.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2824 0.3294 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4161 1.0711 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1596 2.2856 -0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3955 2.4457 -2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0191 1.5650 -3.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2237 2.3240 -4.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0141 2.1094 -4.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 1.0594 -4.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7221 0.1557 -5.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 -0.8852 -5.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3303 -0.5049 -4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9603 0.3871 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 0.0218 -2.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7177 1.7083 -3.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 2.7448 -3.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0733 2.5881 -2.6885 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9619 2.4134 -3.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 1.2668 -4.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 1.4358 -1.9096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 1.5593 -0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 2.7100 -0.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 0.3966 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 0.7824 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 0.9526 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 1.3953 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 0.5815 1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 -0.8233 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8369 -1.4972 2.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1677 -2.8834 1.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9273 -3.1641 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2771 -2.7023 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4136 -3.0706 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4914 -2.5548 2.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6121 -1.0354 2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6659 -0.6272 4.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0707 -0.8568 5.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6512 0.2194 4.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8809 -1.0850 4.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7301 -2.5017 5.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1822 -2.4663 3.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1795 -0.6613 5.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7346 -2.2115 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -1.5096 2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9275 -0.4304 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0485 1.2304 3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0982 0.9828 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8193 -0.5493 2.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2592 -0.0553 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0987 0.4312 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4727 1.3731 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4854 3.0092 -0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9460 3.3591 -2.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0235 1.2649 -3.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5489 0.6247 -3.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7658 3.1739 -4.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5844 2.7943 -5.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6173 0.3950 -3.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2544 1.4826 -3.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 -0.3652 -5.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 0.7602 -6.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1138 -1.4965 -4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -1.5777 -5.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7525 -1.4986 -4.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 -0.1179 -5.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4192 3.7108 -3.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0278 2.8418 -2.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5341 3.5070 -2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 3.2892 -4.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0081 2.2826 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 0.6251 -4.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4988 -0.5455 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 0.3176 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 1.7417 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -0.0523 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 -0.0664 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 1.6065 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9854 2.4533 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7472 1.4803 -0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 1.0947 1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1753 0.6002 2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 -1.4676 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7735 -0.7494 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0526 -1.5876 3.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6054 -0.8772 2.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -3.3960 1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 -3.4440 2.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9705 -4.3180 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2173 -2.9647 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5378 -3.1110 -0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3533 -1.5914 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3517 -2.7239 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 -4.1969 1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5084 -2.9013 3.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7775 -2.9723 3.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5516 -0.7159 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7980 -0.5315 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4763 -1.4721 4.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -0.1448 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8932 0.1536 4.4029 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 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 1 0 40 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 21 71 1 0 21 72 1 0 22 73 1 1 23 74 1 0 23 75 1 0 24 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 41105 1 0 M END