HMDB0050504 RDKit 3D TG(20:1(11Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -3.3098 -8.8424 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5816 -7.4909 -1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -7.1218 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6889 -6.9487 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -7.1107 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -8.1206 1.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -7.8010 2.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9944 -6.4141 2.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -5.8620 3.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 -5.5014 4.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 -5.5629 3.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8782 -6.1138 2.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5861 -5.4371 1.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 -4.0327 1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4553 -3.2853 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 -3.2133 0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 -2.4541 1.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -2.3929 1.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 -1.6276 2.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -0.2572 3.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8725 -0.0157 3.5614 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 0.8689 2.5558 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 2.1223 2.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9577 3.3382 2.1635 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0919 4.4253 2.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 3.9551 1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3105 4.4518 1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 5.4292 1.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 3.9421 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 2.5693 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6915 1.4838 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8413 1.5502 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 0.5193 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 0.6361 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7352 -0.3531 -2.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 -0.1890 -3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -1.0314 -3.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 -2.4755 -3.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7873 -3.2169 -2.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 -2.8659 -2.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9762 -3.3026 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 -2.9405 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 -3.3296 1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -2.8236 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 -1.4171 2.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5982 -0.3105 1.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 -0.3645 1.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 3.6451 2.8672 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 4.1352 2.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 4.3300 1.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5085 4.3684 3.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 5.1515 2.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3361 4.7513 1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 3.3229 1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 2.8608 0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1025 3.0846 -1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7667 2.5719 -1.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5769 2.8546 -2.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 3.6153 -3.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5805 4.3448 -2.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 5.8399 -2.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 6.5486 -2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 6.1773 -2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 6.9533 -1.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 6.6395 -2.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4826 7.0251 -3.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8967 6.6884 -4.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -9.5838 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -8.7168 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 -9.0769 -2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6233 -7.5938 -1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -6.7693 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7076 -6.9645 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 -6.6621 2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -7.6450 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 -6.1750 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0898 -9.1758 1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9415 -8.5888 2.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 -6.3862 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -5.7388 1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 -5.7046 3.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -5.0776 5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8202 -6.1213 4.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -4.5283 4.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 -7.2127 2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 -6.0310 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8473 -3.5149 2.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1235 -4.0469 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8496 -2.2446 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -3.8339 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 -2.7559 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4915 -4.2284 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 -1.4152 1.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7105 -2.9194 2.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -1.9233 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4683 -3.4015 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 -1.7322 2.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -2.2319 3.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7116 2.0915 2.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7247 2.2935 3.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 3.3433 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 4.4125 3.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 5.3500 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 4.6220 0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 4.0236 -0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 2.3329 -0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3331 2.4092 1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 1.3156 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 0.5219 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 1.2364 -1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 2.5445 -1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -0.5148 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 0.6952 0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4943 1.6667 -2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 0.4302 -3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 -1.3801 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -0.0735 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 -0.1938 -4.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 0.8903 -3.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -0.6847 -3.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 -0.8194 -4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -2.9161 -4.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 -4.3153 -3.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8993 -3.4063 -2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -1.7944 -2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9058 -4.4137 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 -2.8508 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0832 -3.5433 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -1.8945 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7558 -4.4878 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7383 -3.0451 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 -3.1179 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 -3.4421 3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6297 -1.2586 3.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1934 -1.2101 2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 0.6337 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0783 -0.1297 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 0.4495 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6481 -0.3506 2.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -1.3231 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 3.4292 3.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 4.9761 4.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 6.2106 2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 5.2943 3.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 5.0489 0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2664 5.3710 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8191 2.6694 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2693 3.0898 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6111 3.2562 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7351 1.7370 0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2168 4.1845 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8642 2.6000 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0018 3.1386 -0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6718 1.4706 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2732 2.3911 -3.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 3.7667 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 4.1013 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 4.0576 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 6.0364 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6482 6.2641 -2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6443 7.6653 -2.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 6.3833 -1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9545 5.0988 -2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 6.5049 -3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 6.5715 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 8.0190 -1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 5.5661 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 7.2126 -1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 8.1407 -3.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 6.5799 -4.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 7.1796 -5.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 5.5969 -4.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6492 7.0170 -3.3834 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 2 0 13 14 1 0 14 15 1 0 15 16 1 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 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 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 1 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 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 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 67173 1 0 M END