HMDB0054840 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) 173172 0 0 0 0 0 0 0 0999 V2000 4.7287 1.2883 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 2.7402 2.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3599 3.6762 2.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4574 4.6077 3.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 4.8591 4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 6.2674 4.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 7.1299 5.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 6.7605 6.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 6.9949 7.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 6.0644 8.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 4.6520 8.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1895 3.9461 8.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 4.3951 6.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 3.7864 6.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8144 4.0993 5.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 3.5473 4.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 2.0471 4.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 1.2892 3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 0.0602 3.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 1.6847 2.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 0.7562 1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2323 1.2603 -0.2829 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6739 1.1001 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 -0.1049 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -0.3418 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1381 0.5911 -1.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 -1.4240 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 -2.4305 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 -3.3268 -1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -2.7953 -2.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -4.0911 -2.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5248 -3.7473 -3.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6234 -4.1518 -2.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7286 -4.9880 -1.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6323 -4.4361 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -4.0688 0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -4.1269 1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -4.9818 2.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 -4.4604 3.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9268 -3.0554 3.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 -2.4591 4.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 -2.9722 4.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -4.3901 4.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2572 -4.9848 5.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4785 -4.2126 5.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0649 -4.7775 7.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2878 -3.9522 7.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3106 2.4657 -0.6105 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 2.8067 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 1.9177 -2.0943 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 4.2311 -1.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 4.4535 -2.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 3.8418 -1.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 2.9365 -2.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 2.3763 -3.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0982 2.7154 -4.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9152 1.7861 -4.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6021 0.3636 -4.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6125 -0.2019 -3.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4247 -1.1514 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5303 -1.8948 -4.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2315 -3.3169 -4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3287 -4.0853 -5.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4091 -3.6990 -6.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9939 -3.7849 -5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0712 -2.8546 -5.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 -1.5146 -6.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4846 -1.1557 -7.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 -1.1673 -7.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 -0.8201 -8.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7156 0.5190 -9.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 0.6361 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4209 1.0263 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3191 1.1876 3.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 2.7792 1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 2.9103 2.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2276 3.5934 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 5.2584 3.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6389 4.4695 5.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 4.2604 3.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 6.6055 3.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 8.1351 5.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 7.5441 6.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0424 5.7800 6.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3505 8.0659 7.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5239 6.3399 9.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 4.2924 7.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 4.2976 9.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 2.8341 8.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 4.1363 9.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 4.0113 5.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 5.4872 6.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 4.2168 7.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 2.6811 7.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 5.2299 5.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8697 3.7622 6.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 3.8770 4.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 3.8676 3.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 1.6915 5.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6442 1.8689 5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 0.5039 0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2941 -0.1383 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 0.4481 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2617 1.9475 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7918 1.0557 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 -2.0091 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 -0.9746 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3446 -1.9243 -1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6992 -3.0334 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 -3.9402 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -4.1737 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 -2.1244 -2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 -2.4098 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4594 -4.4923 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -4.7028 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 -3.0990 -3.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 -3.8543 -3.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -5.4367 -1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 -5.9167 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7298 -4.3277 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 -3.6737 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4213 -3.0901 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 -4.3916 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 -6.0893 2.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 -5.1919 4.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3971 -2.3448 3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1846 -2.8571 4.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1886 -1.3280 4.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2309 -2.2758 4.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 -5.0240 3.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 -4.3564 3.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6074 -6.0301 5.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 -5.0197 6.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2573 -4.3465 5.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 -3.1463 6.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4398 -5.8199 6.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3416 -4.7717 8.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1740 -4.5723 7.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4444 -3.1124 6.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0442 -3.4672 8.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 4.6939 -2.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 4.7972 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8483 4.1660 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 5.5907 -2.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2398 4.1721 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6382 2.5250 -1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 1.3291 -3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9947 2.8984 -4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 3.7911 -4.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8795 2.0701 -4.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7929 -0.1228 -5.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6405 0.0571 -4.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6229 0.2828 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1385 -1.4632 -2.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6431 -1.8838 -5.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0169 -1.5048 -5.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8653 -3.7462 -3.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2383 -5.1121 -4.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -2.7014 -6.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5897 -4.3927 -7.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6392 -4.7579 -5.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 -3.0868 -5.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3772 -1.3928 -6.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 -0.7909 -5.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 -1.8250 -8.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7495 -0.1339 -7.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 -2.1034 -6.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -0.3566 -6.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -0.8620 -8.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6771 -1.5891 -9.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5847 1.3073 -8.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0178 0.7574 -9.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 0.4770 -9.5378 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 2 0 33 34 1 0 34 35 1 0 35 36 2 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 22 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 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 21101 1 0 21102 1 0 22103 1 6 23104 1 0 23105 1 0 27106 1 0 27107 1 0 28108 1 0 28109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 70169 1 0 70170 1 0 71171 1 0 71172 1 0 71173 1 0 M END