HMDB0044284 RDKit 3D TG(16:0/18:3(6Z,9Z,12Z)/18:1(11Z)) 159158 0 0 0 0 0 0 0 0999 V2000 1.2425 -5.3742 3.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 -4.4985 2.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6318 -5.2962 1.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5262 -4.6850 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8916 -4.2624 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 -3.2289 2.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8622 -2.1357 1.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2608 -1.9739 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7335 -2.0093 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -1.1545 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2476 0.1781 -0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0257 1.1553 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 2.1539 0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2252 2.6124 0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 2.6099 2.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3575 3.2589 2.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 3.2553 3.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 3.9703 3.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6535 5.1217 4.5675 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 3.5701 3.6453 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 4.3632 3.9041 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2285 3.7065 4.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 2.4804 4.2826 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 1.8182 4.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 2.3669 6.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9676 0.5717 4.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 0.2729 5.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8702 -0.9701 5.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 -0.9089 3.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2204 -2.1661 3.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7117 -2.0809 1.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5259 -3.3188 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0066 -3.3408 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8902 -2.1698 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2315 -2.3650 -1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9256 -1.5351 -2.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -0.2935 -2.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 -0.2421 -3.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9866 -0.3537 -4.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7925 0.7326 -5.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8399 0.5175 -6.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6457 1.6161 -7.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 4.8862 2.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 3.8214 1.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5062 3.9553 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8541 5.1012 0.2622 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7757 2.7155 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 1.9744 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 0.7259 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -0.2118 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.4854 -1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -2.3930 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 -1.7992 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 -1.4866 -3.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1497 -0.8866 -3.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9002 -0.5949 -5.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 0.0104 -6.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 1.3373 -5.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 2.3089 -5.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 3.6605 -4.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0678 3.6391 -3.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8004 -6.2578 4.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3087 -5.5771 3.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 -4.7501 4.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -3.6292 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 -4.2759 3.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0782 -6.2994 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 -5.6548 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 -5.4225 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 -3.8181 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5392 -4.3510 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3119 -5.2362 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 -3.3311 3.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0836 -1.3815 2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -2.6663 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 -0.9590 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1693 -2.9746 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6934 -1.4359 -0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6515 0.2270 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1883 0.3486 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1382 0.9832 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3468 2.7835 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5751 2.0148 0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 3.6705 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6088 1.5814 2.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4449 3.1697 2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 2.7888 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 4.3210 2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6748 3.7131 4.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 2.2028 4.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5446 5.3122 4.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 3.4379 5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6114 4.3898 5.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 0.5073 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1818 -0.2415 4.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8277 1.1449 5.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7109 0.1270 6.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7703 -1.1411 5.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2653 -1.8916 5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1355 -0.0687 3.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6221 -0.8456 2.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5427 -3.0257 3.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0603 -2.2887 4.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8059 -2.0437 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 -1.1539 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9087 -4.2230 1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3819 -3.4112 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6096 -4.2828 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1531 -3.4646 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8734 -2.3019 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5243 -1.2041 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7869 -3.2720 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2145 -1.7388 -3.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0939 0.0465 -1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8146 0.5246 -2.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3264 0.7094 -2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2514 -1.0455 -2.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9369 -0.3565 -4.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4214 -1.3156 -4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3064 1.7046 -4.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8401 0.6745 -4.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3614 -0.4566 -6.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8595 0.4510 -7.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0071 2.3171 -6.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0803 2.1948 -8.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5593 1.2312 -7.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 5.3459 3.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0649 5.6970 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 2.0438 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 2.9757 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9733 1.7285 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 2.6437 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 1.0863 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1343 0.2320 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 -0.4863 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 0.2966 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 -2.0610 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6366 -1.2265 -2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -2.7462 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3923 -3.2751 -1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 -2.5321 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4478 -0.8560 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.7432 -3.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 -2.4592 -3.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 -1.6078 -3.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.0896 -3.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -1.5547 -5.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 0.0475 -5.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 -0.6706 -5.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 0.1297 -7.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 1.7296 -6.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 1.2135 -4.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 2.4399 -6.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5411 1.8895 -4.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 4.3022 -5.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 4.1043 -5.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0489 4.1453 -3.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1685 2.6019 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 4.1792 -2.9374 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 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 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 2 0 24 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 1 0 33 34 1 0 34 35 1 0 35 36 2 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 21 43 1 0 43 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 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 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 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 1 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 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 61159 1 0 M END