HMDB0050358 RDKit 3D TG(20:1(11Z)/18:0/20:3(5Z,8Z,11Z)) 177176 0 0 0 0 0 0 0 0999 V2000 -5.2887 7.8519 -8.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8166 7.1478 -6.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7886 6.1330 -7.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2221 5.3539 -6.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2721 4.6033 -5.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6852 3.8214 -4.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0299 4.7385 -3.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 3.9737 -2.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8489 4.9676 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 4.9819 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 3.9744 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 4.6140 -2.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 4.5452 -1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 3.8762 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 2.8484 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 1.5896 -0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 0.9521 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 0.3058 1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 -0.3604 1.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 -0.9416 3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.0815 4.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 -2.2526 3.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 -2.9165 4.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 -2.7163 5.7919 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6412 -3.3728 5.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -3.0559 3.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 -3.7892 3.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 -4.6141 3.8734 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -3.6925 1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -2.6009 1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1419 -2.4387 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 -1.9960 3.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7349 -1.9162 3.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5486 -3.1097 3.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8186 -4.1162 2.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5059 -3.6660 1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6346 -4.9234 0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2076 -5.0174 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7296 -4.1649 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8890 -2.7300 -1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0825 -1.9921 -2.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6407 -2.4048 -2.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7060 -1.8190 -3.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0649 -2.2773 -4.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1072 -1.6740 -5.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4309 -2.1310 -6.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4546 -1.5012 -7.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7774 -1.3444 5.9877 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1246 -0.7724 7.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 -1.5795 8.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 0.6661 7.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7093 0.9396 7.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 2.3345 7.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4141 2.6841 8.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4192 2.6243 7.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8003 1.3557 6.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9422 1.7163 5.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4205 0.5470 4.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3921 -0.0979 3.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9674 -1.2817 2.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9371 -1.9105 2.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4559 -3.0751 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4207 -3.7040 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -2.7774 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 -3.5262 -1.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -2.6178 -2.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 -3.3480 -3.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0318 7.1618 -8.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7242 8.8525 -7.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4235 8.0284 -8.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3368 7.9038 -6.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6712 6.6349 -6.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2144 5.4070 -8.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9369 6.6524 -7.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 4.6472 -6.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 6.1056 -5.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0683 5.3033 -5.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7336 3.8777 -6.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0132 3.0251 -4.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5607 3.3092 -3.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 5.3210 -3.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 5.4624 -2.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 3.6060 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 3.0797 -2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 5.7680 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1902 5.7585 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0555 3.2037 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8021 3.5079 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2159 5.1435 -3.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4613 5.0516 -2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7838 4.7170 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5457 3.4909 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 3.2209 -1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8934 0.9053 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 1.6289 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 0.1582 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7561 1.0744 2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1533 -0.4269 1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 -1.1261 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 0.4240 2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 -3.9755 4.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8356 -2.4540 5.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 -3.3313 6.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -3.1776 5.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7967 -4.4706 5.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -4.7134 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 -3.7415 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 -2.6144 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2815 -1.5764 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6581 -3.4217 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6723 -1.6677 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8358 -0.9399 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7476 -2.5378 4.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2859 -1.1559 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7401 -1.3643 4.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5721 -2.7283 4.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1113 -3.6828 4.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 -4.7817 3.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0482 -4.8884 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8604 -2.8976 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5117 -3.2808 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2169 -5.6339 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6043 -5.4460 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2153 -6.0999 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1268 -4.5274 -2.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9687 -2.4422 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5479 -2.3076 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4716 -2.3811 -3.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2162 -0.9063 -2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5225 -3.5074 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2612 -2.0650 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7652 -0.6892 -3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6542 -2.0839 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9226 -3.3878 -4.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1096 -2.0545 -4.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2015 -0.5572 -5.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0588 -1.8989 -5.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4596 -1.8134 -7.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 -3.2392 -6.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 -2.2599 -8.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 -0.6281 -8.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4945 -1.2862 -7.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 1.3220 6.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 0.8957 8.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 0.1696 8.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0424 0.7849 6.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 3.0735 7.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 2.5180 8.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8539 2.0470 8.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4831 3.7185 8.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4156 2.9864 7.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2876 3.4573 6.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 0.6591 7.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0413 0.7925 5.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 2.0757 6.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5552 2.5268 4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8522 -0.2138 5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2666 0.9016 3.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5308 -0.4723 4.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9869 0.6205 3.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3329 -2.0733 3.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8483 -0.9387 2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -2.2627 2.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4919 -1.1839 1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7916 -3.8550 2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3143 -2.7954 0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9118 -4.5551 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5974 -4.1386 1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 -1.8443 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7088 -2.5536 -1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -4.3689 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 -3.8556 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9551 -2.1888 -3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7015 -1.7365 -1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 -2.9965 -2.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 -3.1469 -4.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2691 -4.4458 -3.1240 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 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 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 2 0 39 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 24 48 1 0 48 49 1 0 49 50 2 0 49 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 1 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 6 80 1 0 7 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 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 39125 1 0 40126 1 0 40127 1 0 41128 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 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 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 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 67177 1 0 M END