HMDB0051471 RDKit 3D TG(22:1(13Z)/18:0/20:4(8Z,11Z,14Z,17Z)) 181180 0 0 0 0 0 0 0 0999 V2000 7.3328 -3.9660 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6058 -3.1202 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3614 -3.6064 -2.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6238 -2.9033 -3.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2034 -1.4715 -3.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3459 -1.5665 -4.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 -1.1479 -4.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3321 -0.4726 -3.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9225 0.8295 -4.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2463 1.9863 -3.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0524 2.3763 -2.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1886 3.2572 -1.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9001 3.0629 -0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 1.9960 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1431 1.2040 0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1569 2.1627 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 1.4632 2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 0.4616 1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 -0.1692 1.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -1.2802 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 -1.1227 0.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2005 -2.5124 1.1448 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 -3.7537 0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 -4.5858 1.3099 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6657 -5.6384 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -5.0690 -0.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 -3.9223 -1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 -3.3127 -0.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8959 -3.2978 -2.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3777 -1.8858 -2.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8909 -1.1761 -3.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 0.2471 -3.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7318 0.9058 -4.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 2.2811 -4.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 2.7244 -3.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0277 2.8928 -1.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 3.4021 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 3.6891 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5139 4.2567 1.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3989 3.4494 2.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6348 3.7057 2.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3363 4.9298 2.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7206 4.4910 1.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5215 3.8573 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8316 3.2486 2.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0056 3.9744 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0140 4.5141 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3751 5.1812 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2764 5.6610 -0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 -4.7037 2.6575 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8551 -4.0025 3.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7577 -3.2835 3.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5911 -4.1192 5.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -4.2796 5.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 -3.0552 4.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 -3.0175 4.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8294 -2.7409 5.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2992 -2.8899 4.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5449 -2.1381 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -0.6630 3.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4265 -0.1816 2.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7718 -0.4149 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 0.0369 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9668 -0.1058 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1692 0.2388 -1.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5851 -0.4778 -3.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 -0.5859 -3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -1.3357 -4.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3624 -1.5127 -4.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9762 -4.0129 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5258 -3.5121 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4653 -4.9813 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2281 -3.3713 -0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3930 -2.0619 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7380 -4.6507 -2.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1991 -3.3503 -4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 -0.9216 -3.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -1.1274 -2.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8486 -2.0499 -5.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6169 -1.3066 -5.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -1.0198 -3.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -0.3334 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2896 0.8009 -5.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8813 2.9008 -4.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 2.9321 -3.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3834 1.4802 -2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7797 4.1530 -2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 3.8267 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8419 2.4393 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 1.2426 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 0.7233 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5446 0.4934 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 2.7621 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6934 2.8795 2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 0.9418 2.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 2.1916 2.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 0.9624 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1192 -0.3017 0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 -0.5977 2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4566 0.6165 2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 -3.9612 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0671 -4.2472 1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 -3.7662 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1314 -6.5910 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 -5.8514 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 -3.8521 -3.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -3.1980 -3.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -2.0465 -1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 -1.3116 -1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 -1.6821 -4.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 -1.0223 -4.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5922 0.0371 -2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 0.7981 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 0.8611 -5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 0.2689 -4.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 2.4962 -5.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 2.9995 -4.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 3.6920 -3.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4936 1.9653 -2.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 3.6719 -1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 2.0042 -1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 2.5685 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 4.3217 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5643 2.7029 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 4.3225 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9512 5.2643 1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4044 4.6036 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0146 2.4564 2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 2.9460 3.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9111 5.5532 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 5.4926 3.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1352 5.4050 1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 3.7920 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8871 3.2341 3.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7403 4.7534 3.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1394 2.6404 3.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6826 2.3798 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9455 3.3157 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2831 4.8333 3.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9362 3.6730 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2415 5.2698 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1982 4.4614 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4979 6.1053 1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9632 4.7532 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4083 6.3780 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2127 6.0831 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -3.1861 5.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 -4.9607 5.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 -5.2244 4.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 -4.2553 6.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -2.9350 3.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7761 -2.1855 5.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1904 -4.0333 3.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 -2.3246 3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 -3.4960 6.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 -1.7383 5.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5533 -3.9667 4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9048 -2.4519 5.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 -2.5899 2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 -2.2152 3.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0242 -0.1278 4.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -0.4238 3.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 -0.6919 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 0.9167 2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6048 0.0948 2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9096 -1.5157 1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2912 1.0997 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 -0.6113 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6657 0.5727 0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3715 -1.1337 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3052 0.2975 -2.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8973 1.3575 -2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0583 -1.5151 -3.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9198 0.0249 -4.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5676 0.3456 -3.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 -1.2577 -2.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3603 -2.3033 -4.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2671 -0.6769 -5.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 -2.6023 -4.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 -0.9302 -5.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -1.1983 -3.7005 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 1 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 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 24 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 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 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 15 92 1 0 16 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 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 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 69180 1 0 69181 1 0 M END