HMDB0048523 RDKit 3D TG(16:1(9Z)/22:0/16:1(9Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -3.3065 7.1825 3.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 7.9799 2.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0142 7.7596 1.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 8.5407 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6499 8.3094 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 9.0889 -1.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7817 8.7496 -1.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 8.1803 -3.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1388 7.7915 -4.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 6.2641 -4.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1431 5.7940 -5.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 4.2893 -5.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 3.6581 -6.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8971 2.1716 -6.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5064 1.6642 -6.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 0.1710 -6.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5648 -0.4271 -6.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6963 -0.5596 -6.6673 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 -1.9354 -6.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -2.5434 -5.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6467 -4.0567 -5.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5137 -4.7926 -4.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 -4.9192 -3.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -4.1986 -2.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 -5.9191 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 -6.3690 -1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -5.7280 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 -5.3736 1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -4.8990 2.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 -4.6666 3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -3.5951 3.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0847 -2.2419 3.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 -1.3313 4.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 -1.4644 5.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -0.5336 5.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 0.9126 5.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9092 1.7087 5.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6832 1.4985 7.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9476 2.3711 7.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -2.1837 -4.8263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 -1.5936 -3.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 -1.4114 -2.9425 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1097 -1.1518 -2.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 -2.2771 -2.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0475 -1.6864 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8547 -2.7814 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8822 -2.3719 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5707 -1.6725 1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 -2.3506 2.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 -2.3667 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 -0.9889 1.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2047 -1.0410 1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 0.2668 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 0.2203 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 1.5508 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7268 1.7589 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9783 1.0940 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -0.3621 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 -0.5807 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2219 -1.9308 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6644 -3.0063 0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 -4.3124 0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9325 -5.4442 1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 7.0686 4.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 6.1651 3.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 7.7016 4.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1942 7.6846 2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4016 9.0515 2.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 8.0131 2.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 6.6612 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 8.3720 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 9.6366 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5803 7.2099 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 8.5753 0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 10.1590 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 8.7496 -2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7074 8.9743 -1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 7.9661 -3.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1603 8.2662 -5.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 8.1632 -3.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 5.8422 -3.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 6.0467 -4.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 6.1089 -4.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 6.1869 -6.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 3.8866 -4.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 4.0590 -5.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 3.9166 -5.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 4.0609 -7.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 1.6933 -5.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5456 1.8095 -7.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2512 2.0015 -5.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1948 2.0673 -7.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 -2.4306 -7.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 -2.1599 -6.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2804 -2.2248 -4.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1316 -4.3580 -6.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 -4.2007 -5.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 -5.6415 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5153 -6.8354 -2.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 -6.7948 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 -7.4140 -0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 -6.4490 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -4.8373 -0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 -4.5385 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 -6.2156 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 -3.9819 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0423 -5.6717 2.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 -4.4488 4.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 -5.6102 4.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -3.6574 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -3.7385 2.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6342 -1.9845 2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -0.3384 4.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 -1.0919 6.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 -2.4421 6.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7632 -0.7702 5.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 -0.7258 6.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0976 1.2440 6.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2134 1.1403 4.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7374 2.8007 5.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 1.4375 5.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 1.8320 8.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0184 0.4665 7.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 3.2345 6.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 2.8019 8.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7822 1.7782 6.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8423 -0.4132 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7263 -0.5608 -3.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -2.9635 -1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3088 -2.8957 -3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -1.1284 -2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7487 -0.9187 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 -3.7277 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4809 -3.1520 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6069 -1.6930 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5666 -3.2581 0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1618 -0.6368 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5128 -1.4746 1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5801 -1.7300 3.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8938 -3.3521 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9662 -2.9135 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 -2.9466 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 -0.2021 1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -0.7357 2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 -1.8922 1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 -1.2393 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2472 0.5597 2.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 1.0811 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -0.6082 0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6276 0.0485 -0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6929 1.6740 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 2.3787 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 1.5384 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8934 2.9072 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 1.3866 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 1.6178 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -0.9472 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 -0.7653 -1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9481 -0.1821 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 0.0908 -0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2372 -2.3056 -1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3355 -1.9105 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -2.7716 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -3.1651 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2398 -4.6546 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 -4.2076 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 -6.1992 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -5.0878 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8305 -6.0350 1.8702 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 20 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 1 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 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 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 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END