HMDB0050666 RDKit 3D TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -5.1141 -6.2080 5.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5454 -6.2119 6.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2796 -4.9651 5.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6973 -3.7028 6.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5884 -2.5511 5.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0033 -1.3056 6.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5567 -0.3746 5.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 -0.4960 4.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1935 -0.4432 3.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7422 0.4277 2.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5547 1.4947 2.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9001 2.7803 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3935 3.5523 1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4481 3.1754 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 3.0180 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6427 3.6904 -1.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4109 4.6625 -2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5471 4.0877 -3.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 3.7961 -4.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 3.2038 -5.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5346 3.3671 -6.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4602 2.4689 -6.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5303 1.8694 -7.5949 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4613 0.3574 -7.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2482 -0.1698 -7.1553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 -1.5560 -7.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -2.3024 -7.3553 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2517 -2.1294 -6.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 -2.7357 -5.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4892 -3.9196 -5.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -4.4835 -3.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0876 -5.6897 -3.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6895 -5.9948 -2.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 -5.2130 -1.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 -5.9188 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1504 -5.2501 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2734 -3.7913 0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -3.1007 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -1.8997 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 -1.3589 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4547 -1.1125 -1.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 -0.1014 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6413 -0.0430 -3.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 0.3551 -3.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3402 2.4272 -8.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 2.1604 -7.6326 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 2.4281 -7.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4301 2.9586 -9.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2183 2.0745 -6.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 1.8289 -5.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 1.4714 -4.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 2.4316 -4.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 1.9086 -2.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0851 2.7973 -2.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 2.3607 -0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4636 2.4776 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8506 2.1216 1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 2.3294 2.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0273 1.4337 3.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 0.0513 3.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 -0.2570 4.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 -0.0926 5.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 -0.3633 6.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -0.1512 7.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 -0.3532 9.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -1.7242 9.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 -2.7996 9.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4735 -6.8925 6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1291 -6.6133 4.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -5.1826 5.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0618 -7.0900 5.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5154 -6.3807 7.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3581 -4.8805 4.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3303 -5.0429 6.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6891 -3.4653 5.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7022 -3.6775 7.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7081 -2.6584 4.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5722 -2.7372 6.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9439 -1.1665 7.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1338 0.5243 5.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1743 0.4267 3.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1339 -1.3668 3.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4517 -1.1693 3.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6649 0.4165 2.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6249 1.5223 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6214 1.2296 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 3.0377 3.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 4.4762 1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 3.9527 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9752 2.2434 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 2.2893 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5889 3.5467 -1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 4.9699 -1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 5.6112 -2.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1202 3.1206 -3.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 4.7967 -4.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5144 3.2215 -3.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7532 4.7933 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4493 2.1225 -8.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6186 0.0302 -8.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3247 -0.0126 -7.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 -2.9388 -7.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -1.3898 -6.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 -2.0314 -4.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 -3.1196 -5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -3.5390 -5.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 -4.6900 -5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -4.6951 -3.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -3.6767 -2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -6.5049 -4.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1776 -7.0302 -2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2147 -5.3006 -1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 -4.1822 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 -7.0053 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6391 -5.9122 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1442 -3.5969 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -3.3150 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4585 -3.4633 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 -1.4441 -0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 -1.6088 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -0.1944 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6731 -1.9874 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 -0.6860 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 -0.4346 -2.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 0.8992 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 -1.0460 -4.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 0.6609 -4.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -0.5385 -3.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5936 0.6646 -4.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 1.1821 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 3.5251 -8.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 1.9934 -9.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8832 2.9485 -6.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 1.1388 -7.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9532 2.7619 -5.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 1.0332 -5.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 1.3503 -3.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8306 0.4559 -4.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 2.5151 -4.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 3.4485 -3.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3908 0.8805 -2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 1.8616 -1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7507 3.8678 -2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9691 2.7238 -2.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9022 1.2932 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4338 3.0204 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 1.7645 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0193 3.4736 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 1.1258 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6301 2.8958 1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 3.3470 2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 1.6910 3.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5965 -0.6009 2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.2831 2.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 0.4643 5.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -1.2696 4.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 -0.8750 5.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0845 0.8856 5.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 0.3876 7.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2539 -1.3822 7.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 0.8932 7.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7904 -0.8354 7.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6318 -0.1694 9.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 0.4252 9.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1191 -1.9332 9.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0695 -1.8099 10.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 -2.7209 9.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 -2.7098 8.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6385 -3.7778 9.3239 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 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 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END