HMDB0043600 RDKit 3D TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0) 166165 0 0 0 0 0 0 0 0999 V2000 -3.6399 -5.2096 10.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3104 -4.5409 10.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 -3.9158 9.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 -2.9409 8.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 -2.2020 7.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6538 -1.3323 7.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6057 -0.0510 7.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 0.7172 7.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5967 1.4578 6.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8193 1.3641 5.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 0.5183 4.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -0.5788 4.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 -0.9778 3.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7985 -0.5353 2.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9212 -0.2944 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2608 0.7277 0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 2.0444 1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 3.0506 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0919 4.0051 0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 4.3327 2.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3447 4.3153 2.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 3.0029 2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 2.0157 2.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 2.8407 2.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 1.7118 1.9983 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1789 1.8862 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 1.9291 -0.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3011 2.1461 -1.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 2.3657 -2.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 2.1366 -2.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 1.3322 -2.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5215 -0.0689 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -0.8446 -2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 -1.1231 -3.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 -1.8837 -5.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0538 -2.2776 -6.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1378 -3.2550 -6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -3.0409 -5.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0802 -1.7978 -5.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2187 -1.7630 -4.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8277 -1.7784 -3.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1324 -1.7480 -2.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0150 -2.9283 -2.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 1.4938 3.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 0.2669 2.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1692 -0.1413 3.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4293 0.6314 4.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 -1.3485 3.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8393 -2.1772 2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 -1.5632 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 -1.1670 1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 -0.7129 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0955 0.4319 -0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8294 0.4216 -1.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6754 1.6859 -2.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7761 1.8870 -3.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5487 3.1600 -4.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3014 3.2196 -5.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2354 2.1494 -6.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 2.2536 -7.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 2.1460 -6.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 2.2832 -7.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 2.1953 -6.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8858 2.3395 -7.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5338 -6.1863 11.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 -4.5769 11.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1756 -5.3545 9.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 -3.7521 11.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4591 -5.2227 10.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 -3.4002 8.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 -4.6912 8.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3729 -3.3452 9.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2176 -2.1052 9.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7048 -3.0372 6.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 -1.7512 7.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6148 -1.8823 7.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5544 0.5227 7.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 0.2349 7.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4066 1.5510 8.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 2.1571 6.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1007 2.0186 4.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7797 1.2373 4.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 0.1822 6.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5495 -1.1355 4.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0614 -1.8876 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -1.4612 3.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1538 0.2218 3.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6456 -1.2374 0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2712 0.6087 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7183 2.2139 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6683 2.2318 2.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 2.9467 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5943 4.6471 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 3.7046 2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2193 5.3785 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 4.4977 3.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 5.1337 1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7874 0.7717 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 2.7497 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 0.9871 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4562 1.7678 -3.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1907 3.1870 -2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 1.2608 -2.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 1.7888 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 -0.5956 -1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -0.0879 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9682 -0.3753 -3.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -1.8468 -2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 -0.1083 -4.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 -1.5524 -3.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2511 -2.8177 -4.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 -1.2587 -5.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -2.7500 -6.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3624 -1.3605 -6.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 -3.5896 -7.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 -4.2381 -5.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 -3.3077 -4.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 -3.8851 -5.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5142 -0.8507 -5.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5236 -1.8537 -6.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8889 -2.6268 -4.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7863 -0.7992 -4.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 -0.8575 -2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2561 -2.6792 -2.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8749 -1.6963 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6587 -0.8093 -2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3984 -3.7550 -2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7415 -2.6363 -3.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5783 -3.1752 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 2.3027 3.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 1.3700 4.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 -1.9716 4.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0775 -1.1398 3.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7507 -2.4854 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3657 -3.1617 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1686 -2.3445 0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 -0.7114 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 -2.1080 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8949 -0.4619 1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5687 -0.5770 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5663 -1.6533 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9916 0.6467 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0621 1.3766 -0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 0.4455 -1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -0.4765 -2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7397 1.5177 -3.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5397 2.5903 -2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 2.0118 -3.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8196 1.0716 -4.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 4.0479 -3.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4565 3.3967 -4.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4471 3.1523 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2322 4.1950 -5.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1242 2.2883 -6.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3653 1.1244 -5.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0302 3.2335 -7.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0547 1.4041 -7.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6339 2.9673 -5.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 1.1700 -5.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 1.5635 -8.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 3.3088 -7.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.2295 -6.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 2.9846 -5.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 1.7315 -8.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 2.0332 -7.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0104 3.4082 -8.0297 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 25 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 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 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 6 26 99 1 0 26100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 53142 1 0 53143 1 0 54144 1 0 54145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 64166 1 0 M END