HMDB0047748 RDKit 3D TG(14:1(9Z)/15:0/16:1(9Z)) 142141 0 0 0 0 0 0 0 0999 V2000 -1.3869 9.7666 -3.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5828 9.1128 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7053 7.6226 -2.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 6.9242 -1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1285 7.4230 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1959 6.7282 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3056 5.2853 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 4.9799 -1.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5673 3.4579 -1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7057 3.1078 -2.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9643 1.7045 -2.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0018 0.9295 -3.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 0.6755 -3.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5273 -0.0448 -1.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -1.2956 -1.8514 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5369 0.5678 -0.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4191 -0.0515 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 -0.7474 0.7727 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9517 0.1830 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 1.2965 1.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4775 1.4655 2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3269 0.4645 3.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 2.8666 2.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 3.2608 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9763 2.4133 3.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 2.6493 3.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 2.6176 2.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 3.4924 1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7289 3.6566 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 2.3917 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 2.1954 -1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3221 3.1245 -2.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 2.5695 -2.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4237 1.2508 -3.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7205 0.6984 -4.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7164 0.4785 -3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9784 -0.0648 -3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8801 -1.3279 2.0429 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 -2.6755 2.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 -3.4175 1.1907 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -3.3418 3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 -3.2453 3.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 -3.8632 5.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9086 -3.7663 5.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -4.4134 4.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 -4.0959 3.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 -4.6794 2.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 -6.1251 2.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 -6.9710 1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 -6.6799 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -7.5457 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -7.6025 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5193 -8.0208 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 -8.0879 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 9.3083 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 10.8510 -3.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3234 9.5821 -4.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 9.5527 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 9.4350 -1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 7.2632 -2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 7.3655 -3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 7.2191 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8173 5.8520 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 8.5163 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0504 7.2574 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 4.8899 -0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 4.7326 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4065 5.2990 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4113 5.5425 -2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7314 3.0198 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 3.1827 -1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6524 3.5158 -1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6442 3.7301 -3.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9327 1.7151 -3.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3205 1.1094 -1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8564 1.5311 -4.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4485 -0.0277 -4.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1776 -0.0530 -3.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 1.5536 -3.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2383 -0.8008 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5642 0.6472 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 -1.5701 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 -0.4603 0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 0.5201 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7144 2.9855 3.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 3.5577 2.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 4.3143 2.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 2.9945 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5416 2.4226 4.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 1.3060 3.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 1.9622 4.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4692 3.6698 4.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 2.6475 3.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 1.4974 2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7744 4.5653 2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 3.3193 1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2955 4.3417 -0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8261 4.2256 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9612 1.5464 0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 1.1905 -1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 4.1375 -2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 3.2506 -3.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 2.4860 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0614 3.3233 -3.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 1.4421 -4.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 0.4792 -2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 -0.3215 -4.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1082 1.3076 -5.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9435 1.3916 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2613 -0.3141 -2.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1837 -1.0593 -3.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9183 -0.1458 -4.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8306 0.6053 -3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 -4.3813 3.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9474 -2.8024 4.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 -2.1528 3.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5569 -3.6207 2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 -3.3622 5.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8999 -4.9416 5.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 -4.1029 6.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1644 -2.6358 5.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 -4.1536 5.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8733 -5.5320 4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -4.5721 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -3.0255 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2303 -4.2088 3.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4827 -4.2177 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7002 -6.4559 3.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5126 -6.3921 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 -6.7366 2.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 -8.0513 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -5.6141 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3929 -6.7200 -0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5953 -7.3424 -1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 -8.6404 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3498 -6.5258 -0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -8.1676 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -7.2184 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1978 -9.0082 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -7.2997 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 -7.8907 2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 -9.1172 0.7764 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 2 0 6 7 1 0 7 8 1 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 1 0 30 31 2 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 18 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 17 80 1 0 17 81 1 0 18 82 1 6 19 83 1 0 19 84 1 0 23 85 1 0 23 86 1 0 24 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 37113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 54142 1 0 M END