HMDB0266805 RDKit 3D PA(a-13:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 109108 0 0 0 0 0 0 0 0999 V2000 -13.0128 -0.3306 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4704 1.0502 1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4762 1.8876 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8885 2.0375 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8650 3.2337 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4130 3.2205 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5667 2.4849 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1096 2.4736 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9398 1.8180 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4904 1.7276 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7364 0.8882 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 0.7215 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6548 -0.1532 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3661 -0.6828 -0.8847 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2975 -0.4014 -0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -1.2659 -1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 -1.4011 -0.9272 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1579 -2.4006 -2.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -3.6651 -1.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 -4.7868 -2.9051 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8013 -4.6410 -4.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 -6.3616 -2.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 -4.6728 -3.3587 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2484 -1.8894 0.2816 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 -1.2124 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 -0.1667 0.4028 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -1.6511 2.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2127 -1.0677 2.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3095 -1.4936 1.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 -1.1470 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0237 -1.9775 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0383 -3.4082 -0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0258 -4.2619 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 -4.0011 -2.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5418 -2.7100 -2.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9537 -2.5315 -2.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3584 -1.5417 -1.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5075 -0.4435 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0867 0.8230 -1.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5085 1.7679 -0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4691 1.7082 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8213 1.7852 1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5960 3.0214 1.2452 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8986 3.2181 -0.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9003 2.9139 2.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7517 4.1378 1.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1124 -0.3847 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6043 -1.0410 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6048 -0.6431 -0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1445 1.4098 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4321 0.9044 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9188 1.3392 -0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3759 2.8485 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4830 1.1296 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8366 2.3193 -1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4385 3.8118 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9244 3.8512 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0749 4.2945 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2938 2.8963 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9281 1.4433 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6135 2.9737 -1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4929 2.0188 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7491 3.5401 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3419 0.7834 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4411 2.4497 1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0186 2.7320 1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4983 1.2213 2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1648 -0.1583 0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8039 1.2190 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1312 0.3062 2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 1.6888 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 -0.8535 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2793 -2.2474 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 -0.4453 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -2.0485 -2.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 -2.3998 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1313 -6.3654 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -5.3348 -2.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1741 -1.4766 3.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 -2.7905 2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -1.2487 3.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 0.0591 2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2097 -0.8460 1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 -2.5530 1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 -0.0693 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -1.4895 -1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 -3.7772 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -3.6413 0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8774 -5.3712 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6796 -4.8753 -2.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9632 -1.8353 -2.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 -2.8504 -3.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6922 -3.3201 -2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 -1.5523 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3569 -0.4632 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4805 -0.5169 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1513 0.9457 -2.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 2.6923 -1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 0.9113 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9382 2.6740 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6655 1.6906 2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4316 0.8813 1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0665 3.8939 1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8079 2.8983 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6696 2.7960 3.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4534 2.0183 1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4765 4.2295 2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3133 4.0763 0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0613 4.9984 1.7202 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 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 20 23 1 0 17 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 16 72 1 0 16 73 1 0 17 74 1 6 18 75 1 0 18 76 1 0 22 77 1 0 23 78 1 0 27 79 1 0 27 80 1 0 28 81 1 0 28 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 1 44104 1 0 45105 1 0 45106 1 0 46107 1 0 46108 1 0 46109 1 0 M END