HMDB0053886 RDKit 3D TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -6.9536 0.7139 -8.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4014 1.6260 -7.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4215 0.9060 -6.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4969 0.6524 -4.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7154 1.1364 -4.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1921 2.0658 -3.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3226 1.9515 -1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9735 0.9613 -1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6908 -0.1741 -1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3788 -1.4243 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2328 -1.8617 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3594 -2.7315 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1248 -3.2228 -0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3048 -4.0546 -1.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 -4.5625 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -5.3386 -2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -5.8590 -1.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9952 -4.7852 -1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 -3.5969 -1.3086 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 -4.9447 -0.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 -3.7356 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -3.7236 0.2038 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3704 -3.8955 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4873 -3.2695 -0.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7452 -3.1466 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0104 -3.6645 -1.9402 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7049 -2.3527 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9185 -0.9961 -0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5609 -0.3705 -0.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6153 0.9744 -1.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 1.4643 -1.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 1.5626 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 1.9571 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 3.0239 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 3.9666 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 3.9784 1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 5.0409 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 6.3384 1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 7.3999 2.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 8.4092 2.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 8.6211 2.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8231 9.9504 1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6082 10.1889 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 9.1361 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6213 9.5166 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6014 -4.4252 1.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9218 -3.8835 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -2.6427 2.7313 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3023 -4.7328 3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -5.6227 4.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 -4.8285 4.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 -5.8870 5.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 -6.0181 5.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2002 -5.1497 4.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -4.6450 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3563 -3.4577 5.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -2.2179 4.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -1.3488 3.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 -0.9088 2.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -1.2313 1.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5853 0.1104 1.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 0.5942 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -0.0221 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5781 0.9120 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 0.4339 -2.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 -0.8888 -2.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 -1.1818 -4.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0655 0.1387 -8.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6591 -0.0239 -7.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2898 1.3321 -9.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7573 2.3623 -7.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1215 2.2637 -6.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 0.5152 -6.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 0.1143 -4.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2846 0.2808 -3.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4259 1.6895 -4.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6344 2.9417 -3.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8307 2.8012 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2474 0.6466 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6902 1.6028 -0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6337 -0.0464 -2.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0110 -2.2494 -1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6155 -1.1436 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5696 -2.5927 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0452 -2.1249 -2.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9195 -3.6483 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5293 -2.3308 -0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3618 -3.7669 0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1199 -3.5367 -2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 -4.9433 -2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -5.2768 -0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5397 -3.6695 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0983 -4.7046 -3.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8094 -6.2155 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1225 -6.5313 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5213 -6.4673 -2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 -3.1471 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -3.0758 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 -2.6027 0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5009 -4.9697 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 -3.3662 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6456 -2.9115 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 -2.1447 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5812 -0.3524 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4273 -1.2289 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9788 -1.1097 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9951 -0.2730 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0898 1.7445 -0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1236 0.8796 -2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.3993 -2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 0.7107 -2.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 0.4645 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 2.0190 0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4775 1.2913 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 3.3014 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0924 4.9331 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 3.7329 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 3.0135 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 4.9439 2.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 6.4178 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5457 6.6386 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 7.3599 2.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 9.1728 3.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3499 8.7795 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4179 7.8597 1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 9.9189 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 10.8093 1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7641 11.1869 0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 10.1568 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 9.0375 -1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 8.1927 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 9.9832 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5776 10.2636 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 8.6225 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 -5.3756 3.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -4.1153 4.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -6.3879 3.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 -6.2526 5.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -4.1699 4.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 -4.2434 5.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 -6.5652 6.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3864 -6.8619 5.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7821 -4.3911 3.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1797 -5.8392 3.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 -5.4579 5.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 -3.2244 5.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 -2.5282 4.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -1.6926 5.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4405 -1.0698 4.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -0.2484 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6822 -1.8407 2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -1.6937 1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 0.6688 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 1.6034 0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 -1.0495 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 0.0268 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 1.9093 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 0.9324 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7873 1.1852 -3.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 0.4240 -3.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 -0.8148 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1168 -1.7276 -2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -0.2578 -4.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3881 -1.8918 -4.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1122 -1.6380 -4.2107 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 1 0 25 26 2 0 25 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 1 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END