HMDB0050697 RDKit 3D TG(20:1(11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 185184 0 0 0 0 0 0 0 0999 V2000 -6.4111 -1.4521 10.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0911 -1.0240 9.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2307 -1.2206 8.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1343 -0.2367 7.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 1.1803 7.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0532 1.9650 7.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8931 2.8852 6.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6005 3.2801 5.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 4.7036 6.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3332 5.1647 6.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 4.3499 7.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 4.4121 8.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 4.9473 9.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0502 5.6114 9.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 5.1281 9.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3182 4.6751 8.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 4.4891 7.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 3.1992 6.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 2.2732 6.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 2.2000 5.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 0.9069 6.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 0.7004 5.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8534 0.8072 6.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 0.3727 4.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 0.2167 3.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2523 -0.0909 2.0768 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6317 0.1527 1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 0.2890 0.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5368 0.6003 -0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 0.7656 -0.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2079 0.7356 -2.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3524 1.4524 -2.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0386 1.7179 -4.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 0.4852 -5.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4049 1.0343 -6.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 0.1687 -7.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -0.9443 -7.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7924 -0.7492 -7.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -0.4588 -6.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 -0.3327 -5.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 0.7106 -5.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3386 1.9436 -4.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3029 3.1682 -5.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 3.0836 -6.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 4.3507 -7.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3285 4.4627 -6.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 5.7193 -7.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 6.9630 -7.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9508 8.1299 -7.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7323 -1.2758 1.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 -1.3876 0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2109 -0.3030 0.2968 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1251 -2.6302 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7069 -3.8830 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6288 -4.1788 2.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 -4.3383 2.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4785 -5.4896 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -5.7884 2.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 -4.8168 2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4971 -4.2179 1.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 -3.4093 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -2.7962 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -3.8343 -1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 -3.1885 -2.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 -3.3110 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 -4.1811 -4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5103 -5.2071 -4.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4253 -6.5020 -4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -7.1517 -3.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 -8.0650 -4.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6973 -7.2585 -5.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7142 -8.1836 -6.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 -8.9137 -5.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4601 -1.1102 11.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2577 -0.9651 10.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5543 -2.5475 10.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2707 -1.7144 10.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 -0.0394 10.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4239 -2.2484 8.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2559 -0.5383 6.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9181 1.5479 7.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 1.2854 9.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0541 1.7341 7.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8133 3.4210 6.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8194 3.3088 4.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 2.6030 6.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1424 5.4322 5.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2765 6.2523 7.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3041 3.2976 7.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 4.7192 6.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9031 3.9468 9.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2055 4.8944 10.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 5.5677 7.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 6.7382 9.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5007 5.1501 10.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2407 4.3580 9.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 4.7948 6.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2117 5.2758 7.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 3.0063 7.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1466 1.3412 6.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 2.0406 4.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 3.0777 5.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 0.8887 7.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 0.0918 5.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 1.1989 3.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 -0.5281 4.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6504 0.7960 1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 1.0830 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 -0.6571 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2482 1.2415 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1053 -0.3147 -2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 2.4645 -2.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3125 0.9604 -2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8204 2.3553 -4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0643 2.2948 -4.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8268 -0.0153 -5.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1058 -0.1564 -4.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6987 1.8880 -6.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 1.6647 -6.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9213 0.8937 -8.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 -0.2468 -8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5591 -1.8463 -7.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2428 -1.4196 -8.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4557 0.1402 -8.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 -1.5880 -7.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 -1.2604 -5.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 0.4701 -5.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 -1.1496 -5.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 0.7307 -4.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 2.0259 -3.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3963 1.9939 -4.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2907 4.0661 -4.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 3.2780 -4.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7799 2.9712 -7.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 2.2326 -7.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 4.2977 -8.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 5.1918 -6.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9312 3.6040 -7.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 4.5696 -5.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9628 5.8061 -7.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 5.7052 -8.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3111 7.0988 -5.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 6.9885 -7.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 9.1062 -7.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7664 8.0318 -8.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0204 7.9478 -7.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9654 -2.5631 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 -2.6058 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7971 -4.0090 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 -4.7307 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 -5.1602 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 -3.4881 2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 -3.3766 2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 -4.6094 3.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 -6.3984 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4139 -5.5022 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 -6.6979 2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 -6.2130 3.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7182 -5.3463 3.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -3.9742 3.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3722 -3.5637 1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0315 -5.0391 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 -3.9782 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -2.6271 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 -2.0906 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 -2.1696 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9135 -4.3806 -0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 -4.6165 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 -2.5296 -1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 -2.7733 -4.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 -4.5538 -3.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -3.4906 -4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1635 -4.8536 -5.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0008 -7.1468 -5.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2899 -7.8100 -3.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 -6.4209 -3.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -8.8007 -5.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 -8.5274 -3.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 -6.8048 -6.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1949 -6.4524 -4.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -8.9335 -6.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -7.6359 -6.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9327 -8.4346 -4.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 -9.9850 -4.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1802 -8.9300 -5.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 31 1 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 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 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 26 50 1 0 50 51 1 0 51 52 2 0 51 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 61 62 1 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 49146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 68174 1 0 69175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 71180 1 0 72181 1 0 72182 1 0 73183 1 0 73184 1 0 73185 1 0 M END