HMDB0049546 RDKit 3D TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 177176 0 0 0 0 0 0 0 0999 V2000 8.6971 -4.0582 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5512 -2.7965 -1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1290 -2.3567 -2.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0100 -1.1858 -2.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5105 0.1527 -2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9983 0.2251 -0.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7977 0.6066 -0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 1.0263 -1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3903 2.4415 -1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1884 2.7678 -1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0371 1.8330 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 2.2761 -1.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 1.6387 -2.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9355 0.2685 -3.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4297 0.3403 -4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8895 -0.3901 -5.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 -1.3511 -5.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -2.6532 -5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 -3.2431 -6.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 -2.7135 -7.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 -3.6919 -7.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 -3.9791 -6.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 -4.9053 -5.5189 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 -3.2998 -5.3754 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 -3.6010 -4.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5893 -4.1447 -3.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 -4.4382 -2.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9192 -4.9060 -1.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9302 -5.0731 -2.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0087 -5.2207 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1823 -4.0381 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -3.1297 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0004 -1.9179 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -1.1349 0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4821 0.0481 1.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 0.2832 2.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7112 -0.7151 2.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 -1.1485 3.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -1.0080 4.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3232 -0.3797 3.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -1.3824 3.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6142 -1.2318 3.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1545 -0.0385 4.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7229 -0.4455 5.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3766 -0.0282 6.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 0.9508 7.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 0.3935 7.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8151 0.0131 9.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 -0.5359 10.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7481 0.4593 10.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 -2.5245 -3.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -1.2369 -3.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 -0.6609 -3.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 -1.3526 -2.9592 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5813 0.7990 -3.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0718 1.0542 -3.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3843 2.5175 -3.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8473 2.7786 -3.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5316 2.1716 -2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9817 2.5831 -2.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7848 1.9484 -1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3246 2.1188 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2118 3.5080 0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4429 4.2922 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9607 4.6978 1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3392 4.3783 3.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8867 5.5848 4.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2879 4.9623 5.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7729 5.9732 6.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1977 5.2722 7.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6711 6.2179 8.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5533 -4.5378 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7392 -3.7328 -2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 -4.6951 -2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3053 -3.1312 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8786 -2.0809 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -3.2253 -3.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 -2.2441 -3.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9501 -1.3894 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4114 -1.0962 -3.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8912 0.6087 -3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 0.8512 -2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6814 -0.0652 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5027 0.6293 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 0.3210 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1385 1.0320 -2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1579 3.2249 -1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9493 3.8208 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 2.0588 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2533 0.7853 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 3.2840 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 2.0712 -3.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -0.1479 -2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 -0.3684 -3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2697 1.0370 -4.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -0.2893 -6.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9496 -0.9173 -5.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 -1.5682 -4.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 -3.0822 -5.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0991 -4.2063 -7.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -1.7538 -7.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 -2.7549 -8.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5255 -3.2596 -8.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 -4.6378 -7.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4775 -4.4825 -3.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6171 -5.1321 -4.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 -3.5653 -4.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9969 -5.6558 -0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8012 -5.9870 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2638 -4.4465 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1304 -3.4926 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 -2.7923 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 -3.7134 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 -1.2839 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9052 -2.2511 2.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 -1.8257 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0683 -0.7693 -0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2567 0.8291 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 1.2251 2.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5614 -0.2671 1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4725 -1.6260 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 -1.6195 4.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 -1.3345 5.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 0.4413 4.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0845 0.0707 2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 -2.3174 2.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3407 -2.0872 3.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0849 0.2251 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4876 0.8011 4.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -1.1922 5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -0.4563 7.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 1.3559 6.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 1.8156 7.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5054 1.2302 8.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -0.4471 7.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 -0.7253 9.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 0.9265 9.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 -1.4535 9.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3908 -0.7653 11.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 0.0569 11.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2541 1.3761 10.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 0.7382 9.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -2.8347 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 -2.5552 -3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1382 1.1842 -4.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 1.3194 -2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5147 0.5251 -4.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4301 0.6051 -2.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0173 2.8574 -4.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8212 3.0336 -2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3364 2.3950 -4.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 3.8947 -3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4582 1.0496 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0972 2.4916 -1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4062 2.2408 -3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0037 3.6869 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8358 2.3626 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9187 0.8656 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1096 1.6106 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3864 1.5329 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5565 4.0494 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5627 3.5709 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9080 4.5209 -0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8898 5.2976 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2034 3.9675 3.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6162 3.5681 3.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8001 6.1239 4.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1621 6.2093 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4634 4.2787 5.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0847 4.3202 5.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 6.6603 5.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6145 6.5951 6.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 4.6474 7.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9367 4.5780 7.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9918 5.8713 9.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9474 7.2647 8.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5485 6.1825 8.6047 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 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 2 0 28 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 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 1 26106 1 0 26107 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 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 68169 1 0 68170 1 0 69171 1 0 69172 1 0 70173 1 0 70174 1 0 71175 1 0 71176 1 0 71177 1 0 M END