HMDB0010654 RDKit 3D PG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) 132131 0 0 0 0 0 0 0 0999 V2000 11.9848 6.3850 -1.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4437 4.9537 -1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0299 4.4325 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5350 4.5072 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9863 4.0098 1.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 2.6196 1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4847 1.6606 1.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 1.8260 1.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4636 1.3747 2.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6127 0.4059 3.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -0.3678 1.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 -1.7867 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0785 -2.4375 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 -1.8790 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1221 -2.5981 -1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.6399 -1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 -1.3085 -1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5412 -1.4178 -2.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7725 -2.1063 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3502 -2.1716 -1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0148 -1.6518 -2.4193 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 -2.7651 -0.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 -2.8732 -0.9192 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9424 -2.4028 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 -1.0513 0.4788 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0616 -0.0064 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 -0.3987 -1.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9455 1.4013 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 2.3042 -1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 2.0522 -1.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3772 2.9601 -2.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 4.3912 -2.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9752 4.9036 -1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4399 4.7775 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0397 3.4568 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7336 2.9561 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9606 3.7148 1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2952 4.0862 1.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4427 3.8883 1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7112 3.2334 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5703 1.9661 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8789 2.3647 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7829 1.1502 0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0760 1.6152 1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -4.3758 -1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -5.1455 -0.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1853 -6.7684 -0.5214 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7130 -7.0260 -1.9414 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8637 -7.0612 -0.4194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 -7.7399 0.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 -8.6275 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5061 -9.5157 2.0892 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3743 -10.4229 2.6849 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -10.2755 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 -11.0324 0.2949 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7241 6.9914 -2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0353 6.4375 -2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8917 6.8735 -0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5457 4.9477 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0251 4.3416 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4161 3.3906 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5396 5.0906 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2516 5.5749 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 3.9354 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9469 4.2581 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5433 4.5995 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4463 2.3909 1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9187 0.6520 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 2.8943 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6754 1.2835 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8045 1.8899 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 0.1385 4.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 -0.3282 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 0.1556 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0172 -2.2692 2.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2686 -3.5089 1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -2.0299 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4658 -0.8183 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -3.6514 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5897 -2.1413 -2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 -3.1883 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -3.2917 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 -0.6432 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5424 -0.7905 -2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0767 -0.4551 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 -2.0222 -2.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 -1.5306 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 -3.1484 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 -2.3918 -1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8609 -3.0154 1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0092 -2.5487 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 1.6178 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 1.6899 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 3.3824 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 2.1124 -2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 1.0287 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4132 2.1921 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5832 2.8209 -3.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2643 2.5527 -2.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2259 4.7025 -2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7776 4.9462 -3.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 6.0304 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4559 4.5775 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8709 5.2550 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7911 5.5090 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9682 2.7771 -1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0830 1.9069 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5186 3.0882 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2876 4.6234 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3325 4.6361 2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3478 4.2834 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8687 3.0047 -0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4133 3.9420 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0310 1.2166 0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7752 1.5318 -0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3802 3.1118 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6627 2.7383 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9844 0.6667 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2623 0.4082 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6312 2.2060 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7002 0.7954 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8209 2.3529 2.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2241 -4.5074 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -4.6479 -2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1971 -7.3458 -1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 -9.2357 0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -8.0910 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 -8.8985 2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -10.1065 2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -10.9302 1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 -9.5669 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -11.9932 0.4896 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 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 2 0 26 28 1 0 28 29 1 0 29 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 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 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 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 49125 1 0 51126 1 0 51127 1 0 52128 1 1 53129 1 0 54130 1 0 54131 1 0 55132 1 0 M END