HMDB0114803 RDKit 3D PA(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 107106 0 0 0 0 0 0 0 0999 V2000 13.6922 -2.2074 -1.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2723 -2.3646 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3199 -2.4795 -0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3588 -1.6089 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1293 -0.4181 -1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1971 0.7957 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1891 1.6237 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8901 1.4348 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 2.5779 -1.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3906 3.2537 -1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 3.0927 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5512 2.1119 0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 1.1446 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.8507 0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.9411 1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 1.7491 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1546 2.6822 0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 2.5081 -0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 1.2345 -1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3701 -0.0188 -0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -1.0600 -1.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3914 -0.3103 0.6835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -1.6124 1.2191 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6221 -1.5817 2.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8305 -1.1713 1.6765 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4915 -1.8312 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9495 -2.8855 0.2255 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -1.4032 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2667 -0.0872 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5342 0.0704 1.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4386 -0.7353 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8764 -0.8689 2.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6179 -1.4762 1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5410 -0.9685 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8771 0.4516 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8634 0.9636 -0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8188 0.1798 -1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8013 0.5142 -2.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1605 1.9815 -3.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1436 2.2966 -4.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.1312 1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7933 -2.2246 1.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 -2.8348 1.7435 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0234 -4.3297 2.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -2.7199 0.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 -2.0448 3.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1289 -1.3029 -1.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6218 -2.0777 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3150 -3.0920 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2920 -3.4236 -2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0305 -1.7031 -2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4221 -3.3400 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6942 -1.7711 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3097 -0.5350 -1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 -0.2871 -1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1187 1.0519 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2994 2.5092 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 0.8593 -0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 0.6582 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0513 2.8924 -2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1613 4.1107 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3679 4.1290 0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 3.0277 -0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4494 2.1785 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 0.4769 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 1.4055 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 -0.2459 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 0.2650 2.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 1.7284 2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 2.7294 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 3.7248 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 3.3217 -1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0127 2.7264 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 1.3182 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 1.0703 -2.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 -2.2786 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -0.9708 3.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -2.6069 2.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4872 -2.2378 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7011 -1.3314 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0004 0.3458 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3588 0.6256 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5306 0.0894 2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8762 1.1679 2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0462 -1.8368 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2606 -0.4719 3.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3863 0.1591 2.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2425 -1.4322 3.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3337 -2.6029 1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7400 -1.6055 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5894 -1.2362 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2711 -1.5978 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 1.1998 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9666 2.0668 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8676 0.5148 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8424 -0.8982 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8309 0.3435 -3.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6411 -0.0751 -3.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2107 2.1676 -2.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4467 2.6636 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7533 3.1755 -4.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0818 2.4559 -4.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4623 1.3872 -5.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 -1.5905 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 -3.1886 2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 -3.3468 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 -2.5442 3.9415 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 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 1 0 39 40 1 0 23 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 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 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 23 76 1 6 24 77 1 0 24 78 1 0 28 79 1 0 28 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 45106 1 0 46107 1 0 M END