HMDB0095710 RDKit 3D TG(12:0/a-17:0/a-17:0)[rac] 149148 0 0 0 0 0 0 0 0999 V2000 10.8611 1.7729 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9158 1.5348 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8155 2.5718 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 2.5473 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9367 3.6050 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 3.7148 -1.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 2.4210 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 2.6351 -3.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5586 1.4226 -3.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 1.0470 -2.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 -0.1498 -2.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 -0.6134 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 -1.6856 -1.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 0.0692 -1.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 -0.2190 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8518 -0.3517 0.9758 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1178 -0.6787 1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0923 0.3199 1.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3562 0.3151 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 -0.6410 2.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3466 1.3557 1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4575 1.5101 2.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1656 2.0294 4.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2093 1.3300 5.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1024 1.9978 6.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6496 3.4112 6.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2937 3.6353 5.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0263 5.1217 5.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7096 5.5342 5.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 5.1690 3.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 5.8076 2.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 5.5009 1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 5.8104 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8993 7.2697 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 4.8533 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 3.4959 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -1.3773 1.2584 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 -1.2249 2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 -0.0512 2.5253 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1858 -2.2365 2.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8936 -3.0792 3.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 -3.9384 3.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 -4.9454 2.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5159 -5.7747 2.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 -6.8304 1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 -6.2625 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6558 -5.3745 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -4.8523 -1.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6304 -3.9577 -2.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3417 -3.4549 -3.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -2.5329 -4.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 -2.0310 -5.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -1.2622 -5.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1631 -3.1625 -6.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8549 -2.6326 -7.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4433 1.4423 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8166 1.2620 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0362 2.8832 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5036 1.6430 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4863 0.5273 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2778 3.5715 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1842 2.3770 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 1.5603 -0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 2.8664 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2744 3.4289 0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 4.6222 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 4.0465 -2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 4.4763 -1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 1.5899 -2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 2.1625 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 3.4997 -2.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 2.9103 -4.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 1.7113 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 0.5706 -3.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3143 0.6814 -1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 1.8948 -2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5635 -0.9591 -2.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 0.1160 -3.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9818 0.6351 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 -1.1054 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 0.5716 1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 -0.6477 2.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 -1.6847 1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7851 2.3230 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8222 1.1349 0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8993 0.4792 2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2342 2.1752 2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1527 2.1868 4.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8375 3.1247 4.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5264 0.2994 5.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2041 1.3080 4.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4591 1.4017 7.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1221 1.9824 6.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5824 3.7614 7.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4317 4.0651 5.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 3.3006 4.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 3.0930 6.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8512 5.6678 5.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0314 5.3995 6.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 6.6291 5.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 5.0113 5.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5099 5.6582 3.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 4.1008 3.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 6.9082 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 5.4583 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 4.4119 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 6.0005 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6808 5.6923 -0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 7.9386 0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 7.5002 1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 7.4580 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3478 4.8339 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5581 5.2044 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1992 2.9153 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 3.6132 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 2.8971 1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -2.8807 1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -1.7039 2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7909 -3.7097 3.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 -2.4174 4.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2601 -3.3821 3.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -4.5321 4.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9586 -4.4835 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -5.6577 2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3559 -5.0642 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5975 -6.2561 3.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3112 -7.5329 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 -7.4572 1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 -5.7077 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3974 -7.1103 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -6.0094 -0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 -4.5783 0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 -4.2426 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 -5.7285 -2.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5914 -4.5243 -2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7643 -3.1192 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 -2.8583 -3.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 -4.3049 -4.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 -3.0317 -4.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4921 -1.6079 -3.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9434 -1.3221 -5.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7423 -0.7203 -4.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9626 -1.8966 -5.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9417 -0.4513 -6.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 -3.6070 -6.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 -3.9824 -6.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 -3.3682 -8.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 -1.6720 -8.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 -2.4594 -8.0314 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 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 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 16 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 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 52 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 15 79 1 0 15 80 1 0 16 81 1 1 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 25 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 34109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 36116 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 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 53142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 55149 1 0 M END