HMDB0116019 RDKit 3D CDP-DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 159160 0 0 0 0 0 0 0 0999 V2000 -1.1038 -0.4596 -7.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 0.0054 -6.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 -0.2208 -5.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2694 -0.9831 -4.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6185 -1.8347 -3.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -1.9931 -4.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9446 -1.6245 -3.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 -1.0212 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 0.2581 -1.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 0.5387 -0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4376 -0.4181 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0918 -0.1815 1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 0.8441 2.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0654 2.0636 1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7033 3.2856 2.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0313 4.3534 2.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6096 4.5193 2.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7198 4.7824 3.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 4.8577 4.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1913 4.6732 5.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8631 3.5811 6.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 2.3552 5.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 2.2888 4.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 1.2472 6.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 0.1147 5.6655 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2653 -1.0774 5.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -2.1836 5.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 -2.1734 3.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1635 -1.0711 3.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 -3.3174 2.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0391 -2.8837 1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 -1.8525 1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5803 -0.6321 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 -0.2599 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1844 0.8587 1.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 1.9544 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 2.2772 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 3.6541 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 4.0730 -1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 3.2298 -2.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 3.5862 -1.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2111 4.2244 -2.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 4.6547 -4.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 4.3386 -5.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 3.6552 -5.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5081 2.9754 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7776 1.4874 -4.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 1.4223 -6.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9276 0.0169 -6.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7719 -0.8810 -6.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.1283 5.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 -0.3748 6.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2849 -0.5763 6.6877 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4997 -1.0895 5.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 -1.6198 7.8426 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 0.9686 6.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3776 1.1939 6.0047 P 0 0 0 0 0 5 0 0 0 0 0 0 6.5749 0.8467 6.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4884 2.8415 5.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5313 0.2999 4.5734 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7581 -0.3184 4.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 -1.0791 3.2341 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0485 -2.0973 3.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5326 -2.5873 1.7757 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6884 -3.5901 1.1986 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1776 -4.8344 0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3497 -5.7831 0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 -5.5088 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 -6.4675 -0.4821 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 -4.2541 0.3504 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4168 -3.3311 0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 -2.1473 1.1439 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 -1.3729 0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9182 -1.4384 0.2479 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7909 -0.2537 1.9705 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5902 0.4092 1.9832 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1061 -0.1284 -8.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 -1.5257 -7.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 0.0995 -8.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1267 -0.3820 -5.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3566 1.1481 -6.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8962 0.3416 -6.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 -0.9696 -4.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 -2.9149 -4.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 -1.7010 -2.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3901 -2.4687 -5.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 -1.7714 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 -0.7301 -1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 -1.7589 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 1.0126 -2.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7274 1.5327 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2414 -1.4848 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6194 -0.4848 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 -1.0226 2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 0.8193 3.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0672 2.0230 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 2.1826 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7839 3.2790 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 5.2111 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 5.4880 1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 3.7784 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 4.9531 3.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 5.0980 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 5.5845 5.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0184 4.2483 4.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 3.9413 7.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 3.3409 7.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 0.4151 4.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1634 -1.3568 7.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3254 -0.7760 5.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 -4.0189 3.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -3.9081 2.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0123 -2.7613 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -3.8026 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -2.1035 1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3723 0.0356 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -0.0350 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 -1.1105 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 0.7559 2.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 2.7139 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 2.2719 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7076 1.5622 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 4.4610 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 5.1721 -1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 2.1464 -2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 3.4961 -3.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 3.3101 -0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 4.4983 -2.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9273 5.8384 -4.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 4.5787 -4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 4.7870 -6.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1153 3.5752 -6.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2263 2.9927 -3.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 3.4205 -4.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 0.9466 -4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4394 1.1253 -4.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 1.9280 -5.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 1.8812 -6.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5813 -0.4687 -5.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5233 0.0889 -7.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0974 -1.7973 -7.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 -1.2848 -5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9798 -0.4311 -7.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 -1.0029 5.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5939 0.7281 5.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7606 -1.2474 8.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 3.0690 4.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5864 0.3793 4.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7742 -1.0795 5.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9735 -1.5692 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5502 -3.0005 1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 -5.0468 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7251 -6.7754 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2033 -6.2085 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 -7.4227 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9101 -1.1734 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6076 -1.6485 0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6579 0.3874 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 1.3954 2.0287 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 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 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 2 0 57 59 1 0 57 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 2 0 67 68 1 0 68 69 1 0 68 70 2 0 70 71 1 0 71 72 2 0 64 73 1 0 73 74 1 0 73 75 1 0 75 76 1 0 75 62 1 0 71 65 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 0 2 81 1 0 3 82 1 0 4 83 1 0 5 84 1 0 5 85 1 0 6 86 1 0 7 87 1 0 8 88 1 0 8 89 1 0 9 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 13 95 1 0 14 96 1 0 14 97 1 0 15 98 1 0 16 99 1 0 17100 1 0 17101 1 0 18102 1 0 19103 1 0 20104 1 0 20105 1 0 21106 1 0 21107 1 0 25108 1 6 26109 1 0 26110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 55146 1 0 59147 1 0 61148 1 0 61149 1 0 62150 1 1 64151 1 1 66152 1 0 67153 1 0 69154 1 0 69155 1 0 73156 1 0 74157 1 0 75158 1 6 76159 1 0 M END