HMDB0054976 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 2.2894 1.0191 -6.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5774 0.1535 -7.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4621 -0.5329 -6.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 -0.4098 -6.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3254 0.3901 -7.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 1.4909 -7.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 2.0211 -6.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 1.6342 -5.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 1.1997 -4.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1162 1.8190 -3.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4062 2.9914 -3.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4249 4.1166 -3.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7812 4.8036 -2.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2724 4.6178 -0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3939 4.2842 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8831 4.1571 1.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8886 3.0637 1.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 3.0604 3.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 1.9779 3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 0.6076 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 -0.0881 4.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 0.0042 2.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.3829 2.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 -1.8154 1.1042 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9046 -3.1441 1.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1341 -4.2621 1.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 -4.7576 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6933 -4.2103 3.4999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 -5.9718 2.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -6.5138 3.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4034 -7.6263 3.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 -7.7602 3.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 -6.9069 4.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0993 -5.7628 5.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 -4.5309 5.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 -4.0422 4.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4373 -3.3504 5.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 -2.0756 5.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 -1.2334 4.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -0.5383 3.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8304 -0.5084 2.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 -1.2676 3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9941 -0.2938 3.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 -0.2289 3.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 -1.1195 2.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -1.9315 2.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3805 -2.8750 1.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9532 -2.3119 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0258 -1.6173 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 -1.9477 0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3106 -1.3069 -1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2284 -0.4489 -1.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -1.5578 -2.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 -2.4504 -2.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -2.0137 -1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 -1.0282 -2.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 -0.6322 -1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 0.1739 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 1.6135 -0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 1.9969 -0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2367 2.7783 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0767 3.2841 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1618 4.8151 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 5.4668 1.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 6.9692 1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 7.5260 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 9.0453 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 1.5007 -6.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5989 1.7636 -5.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 0.3104 -5.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 -0.6173 -7.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 0.8405 -7.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6756 -1.2011 -5.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -1.0517 -6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4362 0.6975 -8.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -0.3792 -8.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 1.9567 -8.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 2.8827 -6.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 2.5304 -4.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7191 0.8475 -5.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2345 0.3348 -5.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0177 1.5164 -3.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 3.3759 -3.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2084 2.7264 -1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8606 4.3335 -4.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5339 5.6067 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9385 5.6586 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3871 4.0078 -0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0082 3.4407 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0677 5.1857 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4827 5.1649 1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 4.0212 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3783 2.1116 1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 3.2066 1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 2.9236 3.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9315 4.0440 3.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 2.1347 4.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 2.0952 2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 -1.9566 2.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3756 -1.3721 3.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9026 -1.0545 0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 -3.0652 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5144 -3.1628 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 -5.8371 1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3138 -6.7735 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -6.9399 4.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0336 -5.6644 4.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 -8.4354 2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3164 -8.7108 3.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -6.6718 4.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8036 -7.6030 5.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 -5.9182 6.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 -3.7436 5.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 -3.5055 3.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 -4.8963 4.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 -3.9670 6.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -1.6816 5.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -0.3479 4.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 -1.6622 3.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9147 0.1366 2.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 0.1391 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 -1.8766 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 -1.9557 2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7604 0.4056 4.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9386 0.4935 3.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 -0.3614 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9025 -1.6597 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5301 -2.4853 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6379 -1.1800 2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 -3.6683 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1376 -3.5215 2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4721 -3.1697 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8276 -1.6201 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 -1.8328 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 -1.9211 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1756 -0.5084 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 -1.9822 -3.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0482 -0.5773 -2.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -2.8611 -3.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -3.3913 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 -2.8677 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 -1.5805 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 -1.6382 -3.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 -0.2156 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 -0.0563 -2.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7032 -1.5608 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 0.0841 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0247 -0.3251 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4268 2.0055 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 2.2090 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.7223 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 3.0680 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 3.0381 2.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 2.8266 1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 5.1771 0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 5.1429 2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 5.1769 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 5.1292 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 7.2134 2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 7.3786 1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1095 7.2644 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 7.1797 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 9.4111 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 9.5005 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 9.3277 -0.3209 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 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 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 2 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 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END