HMDB0042466 RDKit 3D TG(14:0/22:1(13Z)/18:2(9Z,12Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -1.5397 8.0297 -1.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 6.7751 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 5.6893 -2.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 4.4258 -2.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 3.3662 -2.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2034 3.7579 -4.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4302 3.1154 -5.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 1.8511 -5.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 0.7828 -5.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 0.0917 -6.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 0.4418 -7.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 -0.7601 -8.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -0.4319 -8.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -1.5708 -9.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9515 -2.1835 -7.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 -1.2562 -6.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -2.0656 -5.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 -1.3086 -4.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 -0.4860 -3.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -1.4514 -4.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 -0.7837 -3.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -1.3091 -1.8045 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5001 -0.8207 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 0.5821 -0.3044 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7344 1.1398 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 0.3618 1.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5879 2.5305 1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 2.7944 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 2.6439 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 2.8507 1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 2.8511 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 2.9756 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 1.8409 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4315 2.1807 2.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 1.1441 3.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 0.8826 5.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 2.0687 6.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2734 1.5582 7.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 2.6629 8.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0392 -2.7384 -1.9071 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 -3.5277 -1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 -2.9709 -1.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 -4.9992 -2.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6195 -5.5884 -2.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7845 -5.5431 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -6.1021 -1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4723 -6.3050 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 -6.7846 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 -5.7850 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 -4.7117 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9388 -3.6603 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0451 -2.5302 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -2.7964 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -1.4849 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 -1.1421 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -1.8750 1.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 -2.2539 1.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -3.0389 2.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 -2.3774 4.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 -1.1522 4.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 -0.4784 5.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5463 0.0029 6.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 1.0099 5.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8187 8.7137 -2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 7.7063 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 8.4922 -0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1822 6.4003 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 6.9244 -2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4753 6.0697 -3.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 5.4508 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7737 4.5514 -3.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 4.1015 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 3.4718 -1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 2.3821 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7782 4.6875 -3.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1391 3.5408 -5.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 1.4640 -4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 1.9666 -6.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4287 0.5512 -5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 -0.6726 -7.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 1.3948 -7.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 0.4816 -8.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 -1.1355 -7.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 -1.6059 -8.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 -0.1506 -9.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 0.4570 -8.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0169 -2.3949 -9.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 -1.2246 -9.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1933 -2.8373 -7.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 -2.9246 -8.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9273 -0.4788 -6.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 -0.7923 -7.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 -2.7025 -5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 -2.7724 -5.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4756 0.3062 -3.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 -1.1378 -3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 -1.0257 -1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6127 -0.8499 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3604 -1.4466 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3818 2.7879 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 3.1887 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1741 2.0473 2.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2074 3.7897 2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 1.6781 0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 3.4291 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 3.7812 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 1.9965 2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 3.7719 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 1.9970 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 3.8998 2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5298 3.1437 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3101 1.7855 3.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0767 0.9075 1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 3.1357 3.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 2.2939 2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 0.1668 3.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0779 1.3779 4.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 0.5651 4.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 0.0525 5.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 2.7881 5.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 2.4992 6.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 0.7789 7.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 1.0405 7.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8726 2.8428 8.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3218 2.3991 9.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 3.6371 7.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6153 -5.2592 -2.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 -5.3534 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -6.6693 -2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9629 -5.0995 -2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 -4.5116 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -6.2132 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -5.4917 -2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 -7.1359 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 -7.1879 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6413 -5.5148 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3642 -7.2089 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -7.6871 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9652 -5.4506 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -6.3959 -1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0771 -4.2473 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1705 -5.2987 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6438 -4.1039 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9588 -3.1853 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 -1.8437 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4291 -1.8081 -0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2018 -3.3644 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3613 -3.3427 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0928 -0.8797 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5327 -0.1808 0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1942 -2.7395 1.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2511 -1.1442 2.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 -1.2916 1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0886 -2.8486 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 -4.0386 2.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 -3.2867 2.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4774 -3.1086 5.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -2.1188 4.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -1.4726 4.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7511 -0.4697 3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 -1.1958 6.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 0.3763 5.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6539 0.5355 7.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8318 -0.8298 6.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4017 1.7556 5.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8407 1.5960 4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3729 0.5336 4.3376 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 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 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 22 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 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 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 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 21 95 1 0 21 96 1 0 22 97 1 1 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 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 38123 1 0 39124 1 0 39125 1 0 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 63167 1 0 M END