HMDB0042298 RDKit 3D TG(14:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 149148 0 0 0 0 0 0 0 0999 V2000 -7.2697 -0.3655 4.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0862 -0.6797 5.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5365 -1.5460 6.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0608 -2.7072 6.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9824 -3.4428 5.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9294 -3.7558 6.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7095 -3.4827 6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 -2.7904 5.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -3.8912 5.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -4.4095 4.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -4.0429 2.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 -3.9311 2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.9521 1.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 -1.6000 1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 -0.6578 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 0.0668 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 0.0017 -0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 1.2411 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6404 2.0594 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 3.2629 -1.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 4.1603 -1.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 3.4127 -2.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7477 3.9005 -1.9656 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 2.1852 -2.8885 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 1.5393 -3.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 0.1539 -3.7965 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2189 0.1569 -5.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 0.6757 -5.3427 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 0.7835 -6.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9165 0.4051 -7.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 1.3143 -6.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 0.2068 -6.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 0.8667 -6.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5952 -0.1198 -6.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 -0.8085 -5.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 0.1471 -4.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 -0.6556 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 0.1991 -1.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9095 0.8919 -1.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 0.1259 -1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5331 -0.8625 -2.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 -0.3668 -4.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1101 -1.5778 -5.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9782 -0.3726 -3.6189 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 -1.3108 -2.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 -1.6583 -1.9916 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 -1.9575 -2.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2085 -2.0308 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -0.6301 -0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7046 -0.3800 1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4868 1.1359 1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1548 1.5253 2.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 0.8772 3.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7101 1.4033 4.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 2.1027 5.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 2.4770 4.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 1.9299 5.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 2.4951 6.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 1.9319 6.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3403 -1.0493 3.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1786 -0.4675 4.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2362 0.6731 3.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 0.3275 5.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2826 -1.1482 4.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3667 -1.1054 6.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5466 -3.2176 7.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3238 -4.4129 5.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -2.8045 5.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 -4.3030 7.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0727 -3.8053 7.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 -1.9895 6.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 -2.4893 4.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 -4.2469 6.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -5.2426 4.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -4.9004 2.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6101 -3.0894 2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -4.9078 2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 -3.1398 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1559 -1.3710 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8143 -1.4369 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.6134 3.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 0.7383 1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -0.4591 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 -0.7486 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 1.9063 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9941 0.9529 -2.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2538 1.4829 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4272 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 2.9378 -2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6435 3.8416 -1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 5.0322 -2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 4.4988 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4617 2.1680 -3.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 1.4253 -2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9373 -0.4132 -3.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1954 -0.8628 -5.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 0.7959 -5.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 2.0597 -5.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 1.8123 -7.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 -0.2182 -5.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9444 -0.5733 -7.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5569 1.6728 -6.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 1.3290 -7.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5352 0.3740 -7.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 -0.9200 -7.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5806 -1.5422 -5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 -1.3726 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 0.7569 -4.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8156 0.8941 -4.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1552 -1.0088 -2.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7624 -1.5973 -3.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 0.8947 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6043 -0.4619 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 1.5920 -2.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8882 1.6317 -1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0114 0.9000 -1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 -0.3365 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5974 -1.2095 -2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -1.8422 -2.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5773 0.3621 -4.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9160 0.1131 -4.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 -2.4535 -4.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7650 -1.4336 -6.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2079 -1.7033 -5.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3949 -2.9813 -2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2529 -1.4097 -2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 -2.3905 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4105 -2.7130 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1576 -0.1796 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 0.0260 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -0.8466 1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4632 -0.7274 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 1.4628 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4219 1.6497 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9327 2.6293 2.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0071 1.3681 3.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 1.0528 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -0.2484 3.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5265 1.1794 5.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 2.4169 6.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4883 3.6040 4.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 2.1687 3.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5582 2.2721 4.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7237 0.8428 5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 3.6101 6.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 2.2336 7.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 0.8293 6.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 2.3666 6.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 2.0867 8.0520 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 2 0 16 17 1 0 17 18 1 0 18 19 1 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 26 44 1 0 44 45 1 0 45 46 2 0 45 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 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 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 1 27 96 1 0 27 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 42120 1 0 42121 1 0 43122 1 0 43123 1 0 43124 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 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 M END