HMDB0010659 RDKit 3D PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 132131 0 0 0 0 0 0 0 0999 V2000 1.6037 -5.7487 1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 -4.8513 1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2467 -4.9388 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 -5.3997 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 -5.9553 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2457 -6.1221 2.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -5.5697 3.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0085 -4.6517 3.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6983 -4.1926 2.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 -2.9274 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -1.8283 2.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2837 -0.9237 2.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 -0.7311 2.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 -1.4566 3.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 -0.6014 4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 -0.3352 4.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 -0.8048 4.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -1.6386 5.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 -1.1418 6.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7751 0.1558 5.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 0.3839 5.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7733 0.0087 4.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0694 0.2652 4.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3068 -0.5864 3.0994 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 -0.7902 2.0255 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6433 -0.0029 0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 1.3149 1.0327 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 2.4093 1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3177 2.2632 1.5923 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 3.7806 1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9773 3.5427 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0695 4.7299 1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.1544 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5771 5.0843 0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 6.0523 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 5.3074 -1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 6.1840 -2.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 6.0607 -3.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2832 5.0109 -3.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 4.0734 -4.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 3.8912 -5.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 4.5099 -5.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5813 3.3241 -5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 3.7904 -5.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4216 4.5482 -6.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8683 5.0337 -6.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1895 -2.2321 1.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9008 -2.4512 0.9697 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7005 -3.9138 0.2042 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6365 -5.1067 1.1001 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8733 -4.1645 -1.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 -3.8396 -0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 -3.1214 -1.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -2.8667 -2.6988 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7326 -4.0462 -3.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3449 -1.9570 -1.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.6633 -2.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 -6.7474 2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9741 -5.8216 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3385 -5.3227 2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -3.7845 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2012 -5.0373 2.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 -4.5790 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7008 -5.3633 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4794 -5.5585 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 -7.0517 0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 -6.8670 2.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 -5.8819 4.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8165 -3.8177 4.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8177 -5.2298 4.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -4.9303 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3398 -2.6482 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -1.9979 3.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1036 -1.1180 2.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -0.3824 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 -0.0220 1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 -1.8741 2.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 -2.3906 3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9495 -0.1392 5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.3498 5.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -1.4623 3.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9871 0.0675 4.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7766 -2.6628 5.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -1.8292 6.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 0.6792 6.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1335 0.8893 5.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4205 1.5088 5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7975 -0.0902 6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2356 -0.4828 2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 -0.1961 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 -0.5163 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 4.3648 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6535 4.1974 2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 2.8658 2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8682 2.8969 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 5.2575 2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 5.4305 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8003 3.4052 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 3.5127 1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 5.7194 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3766 4.5163 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 6.7799 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3365 6.6002 -0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8415 4.9645 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 4.3748 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 6.9614 -2.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 6.7429 -4.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3372 4.4798 -2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 5.6135 -3.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 3.5207 -5.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 3.1681 -6.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8018 5.1552 -4.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8381 4.9690 -6.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4624 2.6184 -6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3318 2.7525 -4.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7018 2.9492 -4.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0321 4.4995 -4.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3793 3.8623 -7.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7997 5.4504 -6.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0582 5.3036 -5.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9638 5.9115 -6.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5560 4.2273 -6.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8879 -2.2950 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 -2.9668 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1118 -3.3211 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 -2.1168 -1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2784 -3.6693 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 -2.3417 -3.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 -4.0388 -2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8629 -1.0011 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9495 -2.4277 -1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 -1.1386 -2.4378 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 1 26 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 53126 1 0 53127 1 0 54128 1 6 55129 1 0 56130 1 0 56131 1 0 57132 1 0 M END