HMDB0099482 RDKit 3D TG(14:0/13:0/a-15:0)[rac] 137136 0 0 0 0 0 0 0 0999 V2000 5.0236 5.7066 -1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2483 4.8255 -2.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 3.4404 -2.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3257 3.6114 -2.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 2.4038 -2.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4837 1.5608 -1.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3741 0.8746 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5673 -0.0272 -1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4419 -0.7200 -1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9003 -1.5922 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7179 -2.2494 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -1.2927 1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -2.0357 1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 -1.0869 2.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 -0.8460 3.5425 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3483 -0.5021 1.5561 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3575 0.3808 1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 1.7545 2.2673 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8774 1.7775 3.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7217 0.8957 4.4252 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 0.8752 4.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 1.7551 3.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7938 -0.2284 5.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7602 -1.0825 5.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 -2.2688 6.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7967 -3.4351 6.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 -3.3126 5.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6284 -4.6393 4.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8133 -5.6399 5.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3463 -6.9559 5.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 -7.5211 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0717 -7.7852 4.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0394 -8.3416 3.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 -8.5422 4.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6922 -7.3508 2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 -7.9853 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 2.5282 1.5282 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 3.6464 0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 4.0173 0.7692 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5543 4.3947 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 5.4951 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9561 4.9633 -1.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 3.9798 -2.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 3.5012 -3.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 2.5013 -4.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 3.0253 -5.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 1.9423 -6.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 1.4255 -7.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 2.5714 -8.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 1.9878 -9.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 2.9979 -10.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 5.0463 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 6.4280 -0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 6.1953 -1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1914 4.6949 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 5.2500 -3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 2.8511 -3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7581 3.0533 -1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 4.0520 -3.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8486 4.4378 -2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6347 1.7326 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1211 2.6535 -3.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1309 2.1543 -1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1577 0.7214 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 0.1038 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 1.4418 -0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2558 -0.7393 -2.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 0.5950 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -1.3968 -2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6594 0.0016 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5192 -1.0211 0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5944 -2.3521 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1999 -2.9527 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -2.9126 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -0.7512 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3931 -0.5321 0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 -2.7566 2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 -2.6482 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.4914 0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1554 -0.1215 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0925 2.3361 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 2.8256 4.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 1.7012 4.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5149 -0.7055 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3779 0.3488 6.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9882 -1.3738 5.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 -0.4159 6.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2014 -2.6691 7.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 -1.8724 7.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 -3.9109 5.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8538 -4.2395 6.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9085 -2.7415 4.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8568 -2.7235 5.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6204 -4.4073 4.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9269 -4.9558 4.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9503 -5.8404 6.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -5.2605 6.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5423 -7.6297 6.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2962 -6.7123 4.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8239 -8.5061 4.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3772 -6.8540 3.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -8.5955 5.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -6.9536 5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3013 -9.3153 3.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 -7.5797 4.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0378 -8.7205 5.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1345 -9.3158 4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5486 -7.0597 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1866 -6.4718 3.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 -7.1689 1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9661 -8.6502 2.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 -8.4915 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 4.8045 0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 3.6602 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 6.1029 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 6.1648 -0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 4.4766 -1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 5.8109 -2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2252 3.1407 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5499 4.5386 -3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 4.3522 -4.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 2.9976 -3.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 2.2933 -5.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 1.5242 -4.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 3.2492 -4.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 3.9200 -6.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 1.0564 -5.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 2.2843 -7.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 0.9995 -6.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 0.6469 -8.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 2.9909 -8.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 3.3187 -7.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 1.5454 -8.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 1.1585 -9.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 2.7622 -10.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6893 2.8941 -11.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 4.0298 -9.8608 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 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 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 18 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 17 79 1 0 17 80 1 0 18 81 1 1 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 36112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 51137 1 0 M END