HMDB0116504 RDKit 3D PGP(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 143142 0 0 0 0 0 0 0 0999 V2000 3.1630 -12.6388 -4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8008 -11.2711 -4.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1974 -10.8128 -5.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 -9.7286 -6.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -8.8044 -5.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -7.4918 -5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 -6.7999 -4.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3103 -7.3062 -3.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5856 -7.4332 -2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 -6.7777 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 -5.7954 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -6.2713 0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5893 -6.5236 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 -6.3799 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -5.3315 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1271 -4.2151 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 -3.9184 -0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0771 -3.6190 -1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 -2.4885 -1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3797 -1.4281 -2.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7954 -0.1124 -1.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2818 0.8437 -1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 0.3925 -2.2247 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3043 2.1969 -1.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4312 2.9888 -1.7127 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0128 3.8263 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0957 4.8060 -0.1912 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 5.6830 0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6424 5.5129 1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 6.7558 1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 6.3881 2.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 5.3407 2.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9122 5.0614 3.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 4.0035 3.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 3.7887 4.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 2.6884 5.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3727 1.3641 5.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 1.0221 3.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 0.5813 3.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 0.3712 4.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 1.2064 4.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 0.7130 4.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -0.7005 5.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 -0.9961 6.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -1.8449 7.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 -2.6950 7.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8719 -2.3756 8.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3461 -1.9743 8.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3329 -1.7850 7.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -2.7299 8.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 3.8103 -2.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0677 4.6479 -2.6835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 5.4555 -4.1199 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4543 4.9301 -5.2092 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 5.1954 -4.4761 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 7.0871 -3.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9566 7.8904 -4.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 9.3489 -4.5552 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6057 10.1031 -5.2988 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 9.8897 -3.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2469 11.2440 -3.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 11.8429 -1.5909 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1080 13.3462 -1.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 11.3466 -0.7583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 11.1772 -0.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -13.2815 -5.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -12.6317 -5.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -13.1133 -3.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2326 -10.5873 -3.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7705 -11.4479 -3.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9134 -11.4310 -6.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 -9.4266 -7.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -8.6424 -6.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2346 -9.1775 -4.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 -7.0556 -6.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 -5.8341 -4.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6031 -6.6470 -2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -8.2978 -3.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3616 -8.1519 -2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8527 -6.9360 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 -5.5484 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 -4.8544 -0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -6.4102 1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -6.8762 2.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -7.3625 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -6.2202 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -5.4599 2.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 -3.4498 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0408 -3.1436 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 -4.8111 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8733 -4.3710 -1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -2.3443 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6437 -1.6024 -1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 -1.2225 -3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 0.2722 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -0.2980 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 2.2768 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.2350 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9321 4.3181 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 7.6087 1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 7.0964 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 7.3143 3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6087 5.9564 3.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 5.7400 1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7754 4.3920 1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 4.6086 4.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 5.9752 4.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 4.5636 2.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 3.1953 2.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1738 4.7225 5.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4368 2.7836 6.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8876 0.8616 5.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3548 0.6959 4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 1.1082 2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9757 0.3564 2.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3813 -0.7231 5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 0.5964 5.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 2.2920 4.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 1.4237 4.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8492 -0.8965 4.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 -1.4352 4.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 -0.4599 6.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 -1.9828 7.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -2.7121 6.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 -3.7577 7.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 -2.4828 9.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 -1.7704 9.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 -2.1279 6.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6828 -0.7358 7.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -3.7464 8.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2844 -2.5461 7.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7912 -2.4340 9.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8603 4.4512 -3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 3.1492 -3.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 5.3005 -5.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8171 7.6161 -5.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 7.6286 -4.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3405 9.5397 -5.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 10.1966 -6.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 9.8029 -2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 9.2999 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5033 11.7429 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 11.8825 -0.5716 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 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 2 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 58 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 62 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 55135 1 0 57136 1 0 57137 1 0 58138 1 6 59139 1 0 60140 1 0 60141 1 0 64142 1 0 65143 1 0 M END