HMDB0049071 RDKit 3D TG(16:1(9Z)/O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 166165 0 0 0 0 0 0 0 0999 V2000 -3.9756 -4.4366 -4.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 -4.2090 -3.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3576 -4.3493 -4.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2420 -5.2009 -3.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9968 -6.1941 -2.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9262 -5.9687 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5320 -5.7093 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0872 -5.6232 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8043 -6.6095 1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3052 -6.3502 2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9563 -4.9362 2.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5122 -4.9379 3.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9526 -4.6234 4.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5306 -4.2030 5.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9373 -4.1000 5.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6087 -3.0035 5.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0016 -1.6671 5.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0147 -1.0238 7.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9016 -0.6084 7.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5575 -0.6950 7.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 0.6667 7.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5384 0.3756 6.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 1.1744 6.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 -0.7271 5.7656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -1.3467 4.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 -0.5458 3.6858 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9963 0.3433 3.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 0.8075 2.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6987 1.7062 1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 2.0988 2.4072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9252 2.2920 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0039 1.7745 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 0.3357 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 0.1187 -1.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -1.2445 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 -1.8430 -2.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -1.2700 -4.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 0.0724 -4.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7444 0.3787 -5.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 -0.6358 -5.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9785 -0.4855 -5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9328 -1.4909 -6.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 -2.9142 -5.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 -3.1554 -4.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0132 -4.5609 -3.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3038 -0.1979 3.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 -1.0017 2.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9901 -0.5424 1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 0.8427 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3275 1.2461 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 2.6700 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3342 3.2539 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 4.5866 -1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 5.7713 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5428 5.8825 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 5.6855 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 6.6533 -1.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 6.2614 -2.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 6.2646 -1.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 5.8482 -2.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8166 5.8296 -1.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 5.4299 -2.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9446 4.0635 -3.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2149 3.7092 -3.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2377 -5.1823 -4.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 -4.7964 -5.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4685 -3.4947 -4.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 -4.8739 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 -3.1539 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6398 -3.6314 -4.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2429 -5.2146 -4.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9579 -6.3820 -2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3662 -7.2021 -3.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0008 -6.0362 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2503 -5.5460 0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4088 -5.9030 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8596 -4.5894 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0438 -7.6585 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1404 -7.1516 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -4.2901 1.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6358 -4.5595 3.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 -5.2478 2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 -4.6852 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0151 -3.2525 5.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 -4.9453 6.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5433 -5.0604 5.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6835 -3.1301 6.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6965 -0.9977 5.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0355 -1.6433 5.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9676 -0.8843 7.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -0.1427 8.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 -1.2476 8.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -1.2534 6.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6074 1.0843 8.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 1.3376 6.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1346 -2.3529 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 -1.5471 5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2517 -1.4300 3.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -0.1797 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 1.2871 4.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1571 3.3936 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 2.3320 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 2.3851 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 1.9992 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9952 -0.2855 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 0.1120 -1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 0.9322 -2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 0.2215 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 -1.9307 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 -1.2603 -2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -2.0529 -2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8321 -2.9144 -3.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6463 -2.0575 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -1.2696 -4.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1139 0.9084 -4.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0235 1.4519 -5.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6733 -0.3481 -7.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -1.6550 -5.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -0.4460 -4.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 0.5167 -5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9989 -1.3297 -7.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9151 -1.3127 -5.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2877 -3.5857 -6.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5528 -3.1551 -6.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7584 -2.3965 -3.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4678 -2.9514 -3.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 -5.0381 -4.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2817 -4.5263 -3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 -5.2109 -3.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -2.0281 2.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 -1.1269 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 -1.2783 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -0.6559 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1469 1.1324 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 1.5382 1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6248 0.6275 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0586 1.2135 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 3.2607 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2918 2.5838 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 3.1861 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6439 2.5290 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 4.7997 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 4.4249 -2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9705 6.7197 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 5.9323 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 5.4124 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 7.0115 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4537 5.8777 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 4.6652 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 6.7808 -2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 7.6704 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 6.9270 -3.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0425 5.2396 -3.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 7.2467 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 5.4731 -1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 6.6220 -3.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 4.8681 -3.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9812 6.8628 -1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7286 5.1257 -0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9053 5.4188 -1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2861 6.1545 -3.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8335 3.3000 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 3.9798 -3.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 2.7482 -4.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0154 3.4770 -3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4952 4.4913 -4.6996 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 2 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 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 26 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 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 6 27 99 1 0 27100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 45129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 53142 1 0 53143 1 0 54144 1 0 54145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 64166 1 0 M END