HMDB0042080 RDKit 3D TG(14:0/14:0/20:4(5Z,8Z,11Z,14Z)) 147146 0 0 0 0 0 0 0 0999 V2000 -0.1957 -8.8291 6.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -7.8824 5.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9929 -8.6660 4.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 -7.7882 3.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -6.7974 3.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -5.9294 2.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -4.6540 2.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3657 -3.6904 3.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -4.0445 4.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 -3.7784 5.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -3.1048 4.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 -3.9680 3.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -4.3284 2.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 -3.8944 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 -5.0861 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 -5.3438 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 -4.4903 -1.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9114 -5.1771 -2.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 -4.2025 -2.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 -2.9721 -2.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 -2.8554 -1.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2532 -1.8491 -2.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7667 -0.6916 -1.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 0.3555 -1.2334 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6297 -0.2787 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4979 0.4793 -0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3631 0.7966 -1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0713 0.3795 -2.2793 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 1.5933 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4442 1.5918 -2.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 2.4217 -1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 2.5526 -2.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2692 3.0718 -4.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6915 4.4079 -4.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 4.7293 -3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 6.1644 -4.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 6.4679 -5.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 5.6271 -6.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9588 6.0596 -7.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 5.2696 -8.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 3.7934 -8.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 1.5145 -0.6662 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2479 2.7214 -1.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6509 2.7118 -2.4766 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8534 3.9669 -0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9856 4.7874 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 5.1388 -0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7608 6.0102 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 5.7620 1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6506 4.5412 1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 3.2431 1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 3.2274 2.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 1.9246 2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6656 1.7714 4.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6945 2.8796 4.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6167 2.7080 5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8195 2.7533 6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 -8.4075 7.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 -8.8666 7.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4394 -9.8207 6.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -7.1571 6.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -7.3640 5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -9.1655 4.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 -9.4334 4.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 -7.2685 2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 -8.3295 2.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2285 -6.3815 4.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3811 -7.5005 4.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5913 -6.4560 1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -4.2055 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2552 -3.0129 4.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8113 -2.9062 3.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 -4.4984 5.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -4.0957 6.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -2.2266 4.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -2.6295 3.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 -4.3706 4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 -4.9796 2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 -3.2747 1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -3.2942 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 -5.7678 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -6.2700 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -4.3281 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 -3.4818 -1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5955 -5.5535 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 -6.0654 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5023 -4.7051 -3.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 -3.9543 -3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1156 -0.9687 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 -0.2569 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2717 0.5754 -2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -0.5024 0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -1.2267 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 2.6669 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1762 1.3321 -0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8079 1.9728 -3.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 0.5491 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 1.8462 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 3.3939 -1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5476 3.1604 -2.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1253 1.5181 -3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2441 3.0853 -4.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 2.2891 -4.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 4.6291 -5.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 5.2094 -4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 4.5893 -2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 4.0855 -4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 6.4056 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7809 6.7978 -3.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 7.5429 -5.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9143 6.4137 -6.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1117 5.8526 -6.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0575 4.5477 -6.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 7.1476 -7.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 5.8902 -8.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 5.4260 -8.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1765 5.5902 -9.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 3.3540 -7.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 3.2199 -9.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 3.7407 -8.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8492 3.7942 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 4.6124 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 5.7522 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 4.2126 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0427 5.7236 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 4.2513 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 6.1546 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 7.0685 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 5.8965 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5423 6.6411 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4487 4.4099 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 4.6111 2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 3.0323 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 2.4294 1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 4.0879 2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 3.2411 3.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 1.1053 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3758 1.8781 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 1.7970 4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 0.8042 3.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2261 3.8745 4.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3363 2.8573 3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3069 3.5563 5.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1813 1.7565 5.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 3.1296 7.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 1.7181 6.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 3.4248 6.4261 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 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 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 41120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 57147 1 0 M END