HMDB0051055 RDKit 3D TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:3n6) 171170 0 0 0 0 0 0 0 0999 V2000 -4.8833 4.5938 8.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8685 3.4786 8.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 2.1864 8.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 1.0010 8.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0956 0.8410 9.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 1.7361 8.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 1.2420 7.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 -0.0707 7.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 -0.4055 6.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 0.2958 4.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 1.7080 4.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6265 1.6022 4.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8422 2.2616 3.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 3.2185 2.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 4.5955 2.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 4.4965 1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 4.0823 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 3.9345 -1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1843 2.9210 -1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8647 2.8288 -2.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5593 3.7478 -3.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7336 1.8543 -2.8031 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3197 1.7437 -4.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2056 1.4662 -5.1198 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5402 1.7807 -6.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3517 1.9717 -7.2486 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4046 1.0820 -7.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -0.1260 -7.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1294 1.5109 -8.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 2.2285 -7.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 2.6993 -7.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8968 1.5216 -8.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9405 1.1763 -7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 1.8971 -6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7744 2.3373 -6.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 1.9893 -5.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 1.1028 -4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3343 -0.0884 -4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1568 -0.4381 -3.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3122 0.3157 -2.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9254 -0.5654 -0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0087 -0.0055 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 1.1350 0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2471 2.4785 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4648 3.3192 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 2.8982 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7970 3.9456 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 0.2909 -4.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 0.2227 -4.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6694 1.2968 -4.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 -1.0200 -3.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7778 -1.3667 -2.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2406 -1.6235 -2.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4088 -1.8666 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6185 -2.9717 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8844 -4.3160 -0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 -5.3591 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1711 -6.6931 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -7.4377 -1.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -6.9990 -1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1496 -7.8909 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 -7.2767 -1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -7.9617 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -7.9304 1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 -6.5270 1.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -5.7049 1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 -6.2745 1.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1383 5.2139 7.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4055 5.1457 9.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7972 4.0578 9.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 3.8393 8.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9673 3.4221 7.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5397 2.3019 9.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 1.9931 8.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 0.9117 7.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 0.0504 8.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 -0.2431 8.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1657 0.9316 10.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 2.7920 8.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 2.0471 7.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3012 -0.4264 7.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -0.8868 7.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 -1.4956 5.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 -0.1586 3.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 2.3341 4.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 2.1242 5.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 0.9041 4.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7909 2.0928 2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4051 2.9428 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 3.4810 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 4.9870 3.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 5.2573 1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2294 5.5065 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5219 3.8359 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 3.1256 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 4.8153 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 3.6493 -2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5106 4.9329 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7537 1.9540 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9683 3.1819 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0168 0.8955 -4.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8603 2.6652 -4.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 2.2897 -4.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1474 0.9617 -6.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1446 2.7076 -6.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 0.5975 -8.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 2.0999 -9.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 3.1355 -6.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2718 1.6317 -6.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 3.3330 -6.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0186 3.2913 -8.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 0.9226 -8.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4918 0.2851 -7.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7336 2.7726 -5.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 1.1694 -5.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0496 2.9913 -7.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 2.3363 -5.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 1.7593 -3.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 0.7583 -4.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 -0.7125 -5.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 -1.3421 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 0.3963 -1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 1.3294 -2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6244 -1.4649 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 -1.0668 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1107 0.0437 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -0.8580 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 1.2370 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 0.7798 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 2.6439 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 3.0866 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2022 4.3475 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7006 3.5972 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 2.9621 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0959 1.9350 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4940 4.9117 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7467 3.6140 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 4.0032 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 -0.8382 -4.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7786 -1.8667 -4.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4006 -0.6015 -1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2415 -2.3136 -2.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8772 -0.7699 -2.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5863 -2.4977 -2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 -0.9081 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5033 -1.9188 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -2.6917 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 -3.0080 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7824 -4.3539 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -4.6037 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9754 -4.9917 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 -5.3389 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1994 -7.1152 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5977 -8.4248 -1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5987 -7.1036 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7202 -5.9665 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -7.8323 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 -8.9464 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -6.2104 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -7.2606 -2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7229 -9.0221 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -7.4663 -0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -8.4893 1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 -8.4305 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -5.9743 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 -6.6030 2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -4.7141 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -5.5611 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 -6.3640 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -5.6191 2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 -7.2585 2.2937 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 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 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 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 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 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 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 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 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 67171 1 0 M END