HMDB0298974 RDKit 3D DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-15:0/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 -11.1139 4.3041 -0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3668 3.6112 0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1271 3.6514 1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2244 3.0120 2.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5416 1.5259 2.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5567 0.7488 1.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7600 -0.0443 0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0876 -0.2175 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3152 -1.0084 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2329 -1.7550 -1.2405 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2127 -0.9628 -1.7325 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7578 -2.9277 -0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7027 -3.6444 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5060 -3.7652 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9735 -3.2586 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8066 -2.3285 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4463 -2.0567 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 -1.2089 -1.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4132 -0.6028 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 -1.5693 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -2.4013 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 -2.1604 -1.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 -3.4952 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 -4.3045 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8382 -3.6768 -1.5517 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4955 -4.7506 -2.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 -4.0950 -3.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 -3.1848 -0.7475 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 -1.9041 -0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8159 -1.1424 -1.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4633 -1.3439 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 0.0288 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0244 0.5947 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 -0.2816 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4435 0.2369 0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8632 1.5650 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1309 2.1254 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2972 1.1928 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5899 1.7178 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 2.9919 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2648 3.5939 0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3922 2.6055 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6979 3.2120 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4350 2.1882 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7897 3.8326 -1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2605 5.4022 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0466 4.0535 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1593 4.2141 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7253 2.6057 0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2331 3.3283 0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9271 4.7510 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9667 3.5643 3.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2493 3.1646 3.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5673 1.4453 2.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6254 1.1962 3.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5073 0.8281 2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8834 -0.5602 0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9214 0.3201 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3691 -1.0900 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6872 -2.2316 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8331 -1.2833 -2.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6556 -3.6382 -0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6255 -2.7368 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9472 -4.0936 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7917 -4.3483 -1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6924 -2.7575 1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5365 -4.1077 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3035 -1.8756 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0926 -2.5576 -1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7975 -1.8349 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7826 -0.3861 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9073 0.1278 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 0.0541 -1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 -1.0118 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1452 -2.1907 1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -4.7574 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -5.2113 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 -2.8517 -2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9985 -5.5182 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 -5.2267 -3.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -3.2815 -3.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1492 -1.2913 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3152 -2.0386 -0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 0.7634 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1386 0.0163 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2646 1.5820 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 0.6394 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4822 -0.4505 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 -1.3077 0.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 -0.5431 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3141 0.3130 1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0233 2.2764 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 1.5485 -0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9709 2.3224 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3283 3.0968 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0563 0.1948 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 1.0470 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4844 1.8734 2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3495 0.9151 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0337 2.8545 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1740 3.7552 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 3.8436 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4198 4.5068 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2122 1.6770 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4341 3.1870 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1569 2.6417 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5213 4.2390 1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4278 1.7612 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1716 3.0194 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6772 1.4044 -0.8726 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 6 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 6 26 79 1 0 26 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END