HMDB0052852 RDKit 3D TG(18:3(6Z,9Z,12Z)/14:0/18:3(9Z,12Z,15Z)) 149148 0 0 0 0 0 0 0 0999 V2000 -6.8693 0.9426 3.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5049 -0.3728 3.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3229 -0.3887 1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6597 -1.3148 1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 -2.4746 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6162 -3.6831 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9634 -4.6434 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 -4.5251 0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -4.4184 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2636 -5.1875 -1.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 -6.3607 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0858 -6.1959 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4575 -7.4191 -0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 -7.4047 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5976 -6.3139 0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 -6.4765 1.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 -5.4748 2.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 -4.0621 2.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7073 -3.1815 3.4679 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8438 -3.5254 1.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -2.1215 1.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -1.7129 -0.0115 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9751 -2.0352 -1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5457 -1.5821 -2.4102 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 -1.8955 -3.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 -2.6784 -2.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -1.4525 -4.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 -0.8843 -5.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6295 0.3401 -4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 0.8711 -5.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 1.1855 -6.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 2.3672 -7.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 3.5408 -6.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 4.0324 -7.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2353 4.1261 -7.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7314 3.7191 -5.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3838 4.8502 -5.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 4.8462 -4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5466 3.7345 -5.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0563 3.2204 -3.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 2.7524 -2.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4523 2.2523 -1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 1.7649 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -0.2981 0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 0.3333 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 -0.3499 -0.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 1.8164 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1335 2.3443 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 3.8437 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 4.3054 1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0923 3.6766 3.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 4.1659 3.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 5.6025 4.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 6.3697 4.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6378 6.2093 6.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 5.1079 6.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4031 3.7187 6.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 2.9251 7.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2158 1.4975 7.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 1.8194 3.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8258 1.0342 3.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7842 0.8998 4.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6009 -0.2475 3.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0679 -1.1523 3.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7616 0.4088 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5352 -1.3080 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9457 -2.3908 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 -2.5258 2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7091 -3.7694 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5036 -5.4845 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0104 -3.8054 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1183 -5.5417 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5018 -3.5520 -1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0576 -4.9628 -2.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -6.5898 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -7.2587 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7774 -5.2490 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8494 -6.0823 -2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7327 -8.2771 -1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 -7.6761 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4018 -7.1428 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -8.3943 -0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -6.4441 0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 -5.3522 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -6.4466 2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 -7.4890 2.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 -5.6636 3.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8188 -5.5963 2.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 -1.6072 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -1.7507 2.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 -2.1622 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 -1.5191 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 -3.1196 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -2.2871 -4.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8741 -0.6612 -4.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -0.7028 -6.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 -1.6917 -5.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1627 1.1261 -4.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 0.1791 -3.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.0010 -5.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 1.6558 -5.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 0.3533 -7.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8073 2.4984 -8.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0231 3.4581 -5.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 4.3568 -6.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6885 4.3587 -8.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9514 4.5106 -8.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3325 2.7898 -5.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 3.4508 -5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 5.7263 -5.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0616 5.7195 -4.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4816 4.1583 -5.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2065 2.8690 -5.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5867 4.0254 -3.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7636 2.3784 -3.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1584 3.5159 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 1.8775 -3.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0392 3.0461 -1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 1.4095 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 1.5447 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 0.7964 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 2.4908 0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 2.1075 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 2.1646 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1706 1.8425 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 2.1252 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 4.1038 1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 4.3992 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 5.4001 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 4.1632 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 3.8063 3.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 2.5867 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 3.9686 3.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3417 3.5101 4.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 5.7642 4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 6.1748 3.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4623 7.4885 4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 6.3922 4.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 6.4775 6.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0145 7.1650 6.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 5.3854 7.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 5.0980 6.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 3.6092 7.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 3.2439 5.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 3.4525 8.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 3.0248 7.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 1.1260 6.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6341 1.4501 8.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0659 0.8753 8.0851 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 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 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 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 1 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 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 6 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 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