HMDB0009095 RDKit 3D PE(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) 123122 0 0 0 0 0 0 0 0999 V2000 -12.3089 7.0403 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1075 5.7489 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9486 5.2706 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4366 4.1067 -1.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9498 3.1198 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7613 1.9053 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3631 0.7319 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0183 0.2761 -1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8830 1.1560 -1.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8542 1.0609 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6324 0.0791 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3756 -0.7249 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0990 -1.7433 1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8973 -1.1993 2.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8617 -0.2092 3.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4297 -0.4762 2.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0551 -0.6788 1.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5575 -0.9121 1.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 -0.9680 2.4707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8499 -1.0778 0.2283 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -1.3001 0.2721 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3529 -0.2350 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -0.6234 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 0.0567 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 1.1045 -1.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -0.4117 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.3110 0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9943 0.0879 1.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 -1.2320 1.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3882 -2.4081 0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2386 -2.2688 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 -2.0153 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4844 -1.8917 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1628 -0.8433 -1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1903 0.3755 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6560 1.5501 -1.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3466 2.6521 -1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7387 2.8888 -1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8231 4.0784 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2278 4.3507 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1109 4.6386 -0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5675 5.8504 -1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1864 -2.6173 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8192 -3.6928 0.1822 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 -5.1407 -0.6251 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7603 -5.7632 -0.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -4.8809 -2.2717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 -6.2112 -0.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -7.4014 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 -8.4069 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -9.6060 0.8889 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8545 7.8805 0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2782 6.9172 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2771 7.1793 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1838 6.0910 0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9362 5.0293 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2642 5.8925 -1.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3400 3.7938 -2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1161 3.4885 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8877 3.0429 -0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8605 2.0516 -0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1907 -0.0556 -0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7805 -0.6696 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1389 -0.2091 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8363 1.9456 -2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0303 1.8008 -0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5043 0.6392 1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5123 -0.5487 0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5697 -0.0185 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5480 -1.2770 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0997 -2.3219 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -2.5017 1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6664 -2.1080 3.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9112 -0.8933 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9655 0.0335 4.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0725 0.7951 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0414 -1.3162 3.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 0.4365 3.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2691 0.2404 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4776 -1.5431 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0518 -1.3491 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 0.7412 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 -0.2248 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 -0.1072 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 -1.4976 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 0.1584 1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5457 1.4425 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 0.4683 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 0.8282 2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6923 -1.4957 2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3848 -1.1341 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 -3.2123 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 -2.8887 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -1.4103 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2413 -3.2338 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 -2.9471 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7194 -1.2296 0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5055 -2.7547 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7450 -0.8088 -2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7291 0.2533 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2845 0.5202 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 1.4683 -1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 3.4389 -2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3066 2.0334 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2834 3.2188 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1258 3.9491 0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4791 4.9749 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1725 5.2084 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5600 3.4571 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1332 4.8637 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1665 3.7450 -1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3908 6.5455 -1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8812 6.4409 -0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0447 5.4772 -2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 -2.8465 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5052 -2.5972 -1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -5.0713 -2.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 -7.2459 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 -7.8063 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 -8.0000 1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9116 -8.6163 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 -9.6041 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2094 -10.4478 0.3977 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 24 25 2 0 24 26 1 0 26 27 1 0 27 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 1 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 47117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 M END