HMDB0007302 RDKit 3D DG(18:3(9Z,12Z,15Z)/16:1(9Z)/0:0) 106105 0 0 0 0 0 0 0 0999 V2000 -9.6922 0.0349 4.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8731 -0.4959 3.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3892 -1.7244 3.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2932 -2.0078 1.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6251 -1.2383 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2290 0.0668 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7299 1.2163 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4060 1.3681 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5768 2.2501 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4451 1.8651 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8595 0.5448 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5341 0.7241 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 -0.5952 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5962 -1.5777 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1571 -1.3478 -2.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 -1.1173 -3.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5373 -0.0632 -3.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 -0.1139 -3.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 -1.0909 -2.6197 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 1.0318 -3.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1227 1.2152 -2.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 1.0992 -1.4122 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7408 2.1707 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 3.4486 -1.0697 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 1.2815 -1.1336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 0.3858 -0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 -0.6430 0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 0.7174 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 -0.2782 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 0.0409 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 -0.0103 -0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9652 0.2702 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1883 1.6436 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7084 1.9507 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2241 1.9113 -1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1181 1.1398 -1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8953 0.0831 -1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8045 -0.3343 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7791 -1.5408 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6442 -1.9158 1.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5137 -3.0917 2.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9659 -2.7870 1.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7409 -0.2113 3.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6510 -0.5064 5.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7883 1.1040 4.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6575 -0.7323 4.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2757 0.2923 3.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0677 -2.5079 3.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8727 -3.0411 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7578 -1.2469 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3563 -1.9328 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2643 0.1453 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3596 2.1152 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0143 0.4044 -0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6703 1.8977 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 3.2615 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8588 2.5797 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5517 0.2022 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4665 -0.2560 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5945 1.3499 -0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 1.2867 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7325 -1.0123 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7857 -0.3765 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4258 -1.9617 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9632 -2.5379 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8194 -2.2990 -2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0698 -0.6022 -2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3548 -0.9642 -4.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0563 -2.0910 -3.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9645 0.9798 -3.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3327 -0.1070 -4.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 2.2882 -3.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 0.6110 -3.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2495 0.1187 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 2.0767 -0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5426 2.0330 0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 3.4245 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0571 0.6900 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 1.7525 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -1.2912 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -0.2047 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9281 1.0876 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -0.6855 1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 0.7937 -1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2794 -0.9718 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 0.1519 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4823 -0.4855 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6445 2.3775 -0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8491 1.6620 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7023 3.0392 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 1.3718 0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 2.6970 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3397 1.3294 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7974 -0.8870 -1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0222 0.3139 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2013 0.4070 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8334 -0.7698 0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5041 -2.3654 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7794 -1.1110 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5880 -2.2016 2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9062 -1.0492 2.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1543 -4.0169 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3974 -3.2393 3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1352 -2.9271 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1912 -1.7771 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5796 -3.5437 2.5312 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 2 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 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 21 72 1 0 21 73 1 0 22 74 1 1 23 75 1 0 23 76 1 0 24 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 42106 1 0 M END