HMDB0008616 RDKit 3D PC(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 150149 0 0 0 0 0 0 0 0999 V2000 -2.4977 -9.7256 -1.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 -8.6958 -2.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 -8.2256 -3.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 -7.0547 -3.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2853 -5.8021 -3.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9931 -5.8501 -1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0111 -5.2524 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -4.3959 -1.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -3.9723 -2.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1086 -4.3332 -3.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 -5.2001 -3.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 -4.5495 -3.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 -4.3761 -2.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -4.7747 -1.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 -3.5944 -0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 -2.9930 0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0456 -3.3855 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 -2.5268 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 -1.3585 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7066 -0.5099 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 0.8404 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.6307 1.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 -0.5209 2.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3679 1.7129 2.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 1.3950 4.0035 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4246 1.8617 4.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 1.2399 4.0917 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 1.3492 4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 1.9941 5.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9722 0.6671 3.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5883 1.7151 2.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3695 2.7647 3.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 2.1314 4.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 1.4649 3.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6055 0.8214 3.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6112 0.1620 2.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8926 -0.8501 2.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7751 -1.6092 1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5045 -0.7691 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6464 0.0957 -0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5508 0.8128 -1.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6265 2.1086 -1.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8322 2.9870 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0609 3.8901 -1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7569 3.9969 -1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8393 3.2144 -1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 4.0675 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0854 5.0252 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 4.3736 -1.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 5.4647 -2.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 2.2413 4.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8874 1.9345 3.4383 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 2.8328 3.6263 P 0 0 0 0 0 5 0 0 0 0 0 0 7.5367 3.2311 5.0645 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6081 1.9176 3.1166 O 0 0 0 0 0 1 0 0 0 0 0 0 7.2307 4.2895 2.7263 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5026 4.7341 2.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5329 6.0211 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8891 6.0143 0.4088 N 0 0 0 0 0 4 0 0 0 0 0 0 8.6611 5.2760 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 5.5223 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8009 7.4138 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 -9.4260 -1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 -10.7532 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -9.7273 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 -9.3656 -2.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 -8.0314 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 -9.0497 -4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5491 -6.9682 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 -5.0080 -3.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -5.5007 -3.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 -6.4469 -1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0089 -5.4682 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 -4.7715 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0736 -3.4012 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -3.2391 -3.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -3.9401 -4.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -6.1449 -4.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1798 -5.6282 -2.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -4.1496 -4.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 -3.8590 -3.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 -5.5271 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 -5.3199 -1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9462 -3.1782 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 -2.1538 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 -3.6842 1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7918 -4.4324 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 -2.9931 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 -0.9082 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 -0.1525 -1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -0.9121 -0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8522 1.3612 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 1.4195 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8259 0.3445 4.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5363 1.3974 5.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 2.9557 4.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 0.1413 4.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4582 -0.0640 2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 1.3054 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 2.2340 2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 3.5304 2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7348 3.2461 4.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1168 2.9472 4.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 1.4015 4.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 2.2097 2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 0.6804 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0898 1.5914 4.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1829 0.0010 4.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1672 0.9060 2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3765 -0.3200 3.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0593 -0.3466 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4378 -1.5994 2.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5242 -2.1455 1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1361 -2.3818 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2725 -0.1590 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1211 -1.4646 -0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8761 0.6360 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0849 -0.6411 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1769 0.1627 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3387 2.6029 -2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1882 2.5954 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5724 3.7121 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6409 4.5546 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3571 4.7376 -2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 2.4769 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 2.6744 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 3.3722 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5435 4.6164 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 5.5163 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 5.8815 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6523 3.7312 -2.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4314 3.7757 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 5.9306 -1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 5.0355 -3.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0476 6.2452 -2.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 3.3129 4.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 1.9320 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0473 4.9059 3.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1088 3.9582 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 6.7951 2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5836 6.3687 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0026 4.9503 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1522 4.4218 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4336 5.9339 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9197 5.9213 1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4608 4.4143 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 5.8876 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7120 7.9611 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8782 7.8204 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7237 7.3701 -1.1707 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 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 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 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 6 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 M CHG 2 55 -1 59 1 M END