HMDB0052628 RDKit 3D TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 167166 0 0 0 0 0 0 0 0999 V2000 1.8109 2.1559 -3.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 1.1352 -3.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0974 1.3730 -1.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 1.2775 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 1.5290 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 1.3784 1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 0.5095 2.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 -0.4072 2.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -1.7936 2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8392 -2.6942 3.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2279 -2.3993 5.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9892 -3.0425 5.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 -3.8992 4.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -4.5251 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 -5.9909 3.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 -6.8260 3.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -6.4899 2.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5152 -7.2216 1.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 -8.0968 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 -8.5107 2.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8297 -8.1951 1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 -6.7361 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -5.8482 1.7718 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 -6.3010 0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2645 -5.0183 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 -4.0485 -0.5481 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1425 -4.5186 -1.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0057 -3.6119 -1.5112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 -3.8510 -2.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -4.8467 -3.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2808 -3.0176 -2.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0481 -3.4531 -3.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 -2.8451 -4.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 -1.3390 -4.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 -0.8894 -4.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 -1.0724 -4.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3859 -0.3224 -3.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7912 -0.7993 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2517 -1.2730 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5401 -1.4626 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4917 -0.7548 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2611 0.2661 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0292 1.0353 1.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6011 1.0157 2.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 1.8612 2.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9665 1.8634 4.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7608 2.7418 4.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6926 -2.8057 -0.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 -1.6044 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -1.4935 0.7407 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2271 -0.3706 -0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8881 0.8355 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4606 2.1230 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0127 3.2916 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6131 4.5699 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1933 5.7592 0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 5.9397 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 7.1098 1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7037 8.1911 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 8.5790 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 7.7648 -1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3652 7.2489 -2.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 7.3651 -1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6926 5.9668 -1.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 6.0998 -1.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 4.7762 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 4.0493 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 3.0015 -2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 2.5458 -4.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 1.6664 -3.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 0.1348 -3.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0876 1.1864 -3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 2.3395 -1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6461 0.5683 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 0.3064 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8032 2.1423 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3943 0.9563 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1864 2.6096 0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 2.0632 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.4202 3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 -0.1616 3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 -0.2831 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 -2.1462 1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 -3.6904 3.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1894 -1.3030 5.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -2.7292 5.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3302 -2.7257 6.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 -4.2348 5.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 -4.2323 3.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 -4.2452 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 -6.4242 4.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 -7.9222 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4144 -6.6420 3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -5.4304 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2729 -6.9836 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 -8.5871 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 -9.6481 2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 -8.2243 3.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7002 -8.5407 1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8742 -8.7122 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8746 -4.5293 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9932 -4.9826 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6265 -3.8996 0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -4.6225 -2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 -5.4939 -1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 -2.9650 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 -1.9912 -2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -3.4120 -4.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2013 -4.5665 -3.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 -3.2532 -5.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1741 -3.1570 -3.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -1.1613 -4.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0569 -0.7745 -3.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 -1.1797 -6.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 0.2593 -5.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2066 -2.1646 -4.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6491 -0.7384 -5.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4013 0.7577 -3.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7743 -0.6871 -2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4528 -0.7086 -3.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3261 -1.5990 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -0.8751 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4289 -2.5087 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5255 -1.1871 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1165 0.6392 1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2870 2.1219 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2112 0.7051 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4708 -0.0362 3.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4371 1.5087 3.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 1.4939 2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5929 2.8947 2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8487 2.2501 5.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7136 0.8184 4.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1273 3.8054 4.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 2.6895 3.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2068 2.5592 5.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3139 -0.5831 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 -0.2201 -1.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 0.9533 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3675 0.6519 0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1659 2.3526 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 2.1128 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 3.3382 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 3.1054 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 4.7054 -1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 4.4675 -0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5379 5.5449 1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 6.7070 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 4.9922 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 5.8529 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 7.0709 2.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 8.9419 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7153 9.5796 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 8.9171 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3691 7.5468 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 6.6446 -2.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 8.0611 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 7.6894 -2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 5.4580 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 5.3433 -2.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 6.4693 -2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4525 6.8772 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 4.1528 -2.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9282 4.9034 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9764 3.0453 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0966 3.9409 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 4.5649 0.6401 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 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 1 0 55 56 1 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 3 74 1 0 4 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 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 1 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END