HMDB0048039 RDKit 3D TG(14:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -1.4129 9.6765 -7.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 8.5300 -6.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 7.5662 -7.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 6.3129 -7.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3866 5.5127 -7.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3634 5.9952 -6.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 6.0151 -6.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 5.5864 -7.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.4912 -7.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 3.6964 -6.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5095 3.6777 -5.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9149 2.2754 -5.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 2.2573 -3.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9674 0.9513 -3.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 0.5247 -3.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 -0.7314 -3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0258 -1.9657 -3.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2631 -1.9655 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 -2.3625 -3.3347 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 -1.5493 -1.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 -1.5687 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -1.1171 0.5610 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1188 -2.0919 1.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 -1.7340 2.8446 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 -2.4773 3.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4194 -3.5505 3.7383 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 -2.0251 5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -3.0343 6.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -4.2310 6.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 -5.1722 7.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -6.3332 7.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0218 -7.4199 6.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 -7.3296 5.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 -6.4500 4.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0998 -5.5248 3.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -5.2197 4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7241 -3.7995 4.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 -2.7845 3.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1162 -2.9441 2.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 0.1919 0.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1639 1.1707 1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 0.7505 1.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 2.5572 1.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 3.2666 0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 2.7280 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 2.7438 1.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6182 2.2532 1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7403 0.8140 1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2468 0.5461 0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 -0.8514 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -1.8676 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 -3.2935 1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2291 -4.0901 1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2316 -3.9512 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5295 -3.6685 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1288 -3.4225 1.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0366 -2.2729 1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7373 -0.9178 1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6815 -0.8585 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 0.5313 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3235 1.2711 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4125 2.6689 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1734 3.4817 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 10.3081 -6.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2475 10.3229 -7.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 9.3250 -8.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6825 9.0867 -6.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 8.2183 -5.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6453 7.9466 -7.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 5.7402 -8.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 4.8312 -7.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 4.6714 -6.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 6.3157 -5.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5582 6.4839 -5.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0049 6.5358 -8.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 5.4406 -8.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 4.2779 -8.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 2.8941 -7.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 3.7129 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 4.4389 -5.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 2.1641 -5.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 1.5795 -5.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 2.5420 -3.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7699 3.0358 -3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 0.9768 -2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8128 0.2177 -3.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 0.4335 -5.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0962 1.3090 -3.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8946 -0.9231 -3.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 -0.5738 -2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 -2.3686 -4.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 -2.7764 -2.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -2.6354 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 -1.0207 -1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8803 -1.1844 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -2.2130 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6394 -3.0795 1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 -1.1236 5.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 -1.6544 5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 -3.4338 6.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 -2.6298 7.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -4.6661 5.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -3.9117 6.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 -5.5024 7.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0359 -4.5284 8.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 -6.8054 8.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 -5.9122 7.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 -8.3152 7.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0093 -7.9222 6.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8591 -7.2205 5.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7053 -8.4039 4.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 -6.5630 3.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -4.8965 2.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0929 -5.3710 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9275 -5.8732 4.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 -3.5573 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8645 -3.7399 4.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6112 -1.7825 3.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2504 -2.7519 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 -1.9661 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 -3.7166 1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 -3.1507 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3999 2.6861 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 3.1486 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 4.3326 1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 3.3454 -0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6866 1.7078 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0742 3.3533 -0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 3.8044 2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 2.1856 2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 2.9255 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1153 2.2826 2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 0.6185 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3393 0.1254 1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6556 1.2791 0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 0.6354 1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6223 -1.0200 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1326 -0.8773 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7952 -1.6491 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 -1.6617 2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3579 -3.7830 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4046 -3.5554 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7043 -4.2284 2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8484 -5.2019 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8788 -4.1022 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1358 -3.6502 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7005 -4.3444 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3443 -3.3144 2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0916 -2.5955 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2107 -2.1625 2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4608 -0.1647 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7537 -0.5994 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6094 -1.3112 -0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7571 -1.4147 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6513 0.4669 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4805 1.1007 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2276 1.3720 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4136 0.7752 -1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3113 3.1456 -0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5247 2.5636 -2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3494 3.1836 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 3.3239 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3804 4.5581 -1.0554 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 1 0 32 33 1 0 33 34 1 0 34 35 2 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 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 39122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END