HMDB0008604 RDKit 3D PC(22:2(13Z,16Z)/20:2(11Z,14Z)) 152151 0 0 0 0 0 0 0 0999 V2000 -4.3790 -10.1784 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6928 -8.8905 -3.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -8.2627 -2.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 -6.9503 -2.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 -6.4120 -1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8514 -6.1995 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 -5.0552 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 -3.7803 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4285 -2.7942 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7206 -1.6530 0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0814 -1.2091 1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 -0.9638 2.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0748 0.1068 2.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 1.4304 1.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5607 1.9539 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9111 3.2665 2.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 3.2015 1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 4.5516 1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 4.4494 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 5.7777 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 5.6631 -1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 4.7408 -1.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2223 5.2547 -0.8568 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 3.3769 -1.6565 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3127 2.6846 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2957 1.2301 -1.7660 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9809 0.9826 -3.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 1.6278 -4.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 1.3878 -5.6587 P 0 0 0 0 0 5 0 0 0 0 0 0 4.5678 2.1181 -6.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6502 -0.2585 -6.0768 O 0 0 0 0 0 1 0 0 0 0 0 0 2.0157 2.0283 -6.0434 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8301 2.1456 -7.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 2.7296 -7.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.9116 -7.1711 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8837 2.3978 -7.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 2.0214 -5.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 0.5169 -7.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3598 0.5613 -0.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8262 -0.3282 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 -0.4540 0.1273 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0064 -1.1130 0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 -1.7156 2.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 -2.6030 3.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 -1.9358 3.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -2.9021 4.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -2.4346 5.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 -1.5102 6.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6024 -0.1973 6.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 -0.0891 6.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1861 1.3609 6.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0778 1.9001 5.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 1.1160 4.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 1.3797 5.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 1.8808 4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 2.2544 3.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1736 3.6610 2.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4135 4.7370 3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 4.9823 4.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 6.1650 5.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9986 -10.0621 -2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6534 -11.0161 -2.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -10.4910 -3.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8352 -9.1433 -4.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 -8.2272 -3.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 -8.9736 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 -8.0944 -1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1014 -6.1777 -2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 -7.1370 -3.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1543 -7.2743 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 -5.6020 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 -7.0834 0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9249 -5.0475 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -3.4413 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -3.9512 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9459 -3.0691 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4808 -0.9950 -0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 -0.2568 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3772 -1.9527 1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5283 -0.6695 3.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6156 -1.9015 2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6894 0.2703 3.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6937 -0.2422 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2339 2.1499 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 1.3354 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1318 2.0961 4.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 1.1787 3.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 3.6103 3.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 3.9874 2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 2.5060 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 2.8131 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 5.3394 1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 4.8395 2.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 4.1222 -0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2989 3.6748 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 6.5821 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 6.0610 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 6.6981 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 5.3289 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 3.2385 -1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 2.8132 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 0.8596 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0262 -0.1070 -3.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 1.3157 -3.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.1590 -7.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5832 2.8089 -7.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 2.8723 -8.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4448 3.7536 -7.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 3.0572 -6.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7221 2.9855 -8.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5159 1.5287 -7.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0104 2.8927 -5.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 1.0834 -5.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 2.1314 -5.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3114 -0.0818 -7.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 0.4889 -8.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4553 0.0794 -7.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -1.9103 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2494 -0.4532 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -0.9233 2.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6378 -2.3542 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -3.5529 2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -2.9568 3.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -0.9706 4.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1385 -1.7815 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 -3.3857 5.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1761 -3.7799 3.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7549 -1.9723 4.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7817 -3.3696 5.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 -2.0735 7.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 -1.3294 6.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 0.4795 7.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 0.3779 5.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9809 -0.3570 7.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 -0.7709 6.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6162 2.0759 7.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2181 2.9883 5.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 1.2630 3.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8353 0.0085 5.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6842 1.1249 6.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2757 2.0214 4.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 1.6730 2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 1.8169 2.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 3.9533 2.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 3.7056 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 4.7007 3.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7216 5.7014 2.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 4.1582 5.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 5.3192 5.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 5.8171 5.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 6.9244 4.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 6.5522 6.2095 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 1 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 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 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 1 27103 1 0 27104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 36109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 38117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 60152 1 0 M CHG 2 31 -1 35 1 M END