HMDB0266652 RDKit 3D PA(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/8:0) 92 91 0 0 0 0 0 0 0 0999 V2000 14.2718 -1.3960 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4488 -0.2202 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8876 0.5139 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5964 0.6733 0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5197 0.1469 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6876 1.2802 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 1.3637 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6511 0.3910 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -0.1975 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8129 -1.1327 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 0.9237 -0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 1.0556 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6142 2.1367 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 2.3593 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 1.6751 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 0.5653 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 -0.6718 1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -1.3830 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 -0.8768 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 -0.0873 0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 0.3505 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4044 1.4748 -0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5006 -0.4782 -0.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -0.0966 -1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3828 -1.3124 -1.6331 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3422 -0.9740 -2.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 0.1562 -2.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1692 0.5178 -3.6235 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.3623 1.2889 -3.1828 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2695 1.4236 -4.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6424 -0.9197 -4.3579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9803 -1.6107 -0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6939 -2.7929 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8718 -3.5675 -0.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3267 -3.1262 1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3002 -2.0942 2.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6959 -0.7590 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7294 0.1967 2.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8271 0.3866 1.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8823 1.3827 2.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3187 2.7536 2.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6367 -1.1763 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1159 -1.6470 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6127 -2.2922 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2267 0.4565 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7898 -0.5267 -1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5632 0.9725 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2754 1.2441 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9386 -0.6460 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 -0.3388 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1503 2.0587 -1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8442 2.2330 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0788 1.0205 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2335 -0.3492 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9919 -0.6851 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1368 -1.5183 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 1.6249 -1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2328 0.3103 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 2.8251 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 3.2516 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 2.5104 1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 1.5713 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 0.7884 2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4694 -1.2988 2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -1.9923 1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1204 -2.3202 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1234 -0.3286 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -1.7572 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 0.7397 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 -0.8008 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 0.7650 -1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9969 0.0554 -2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7399 -2.1731 -1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7512 -0.6308 -3.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0226 -1.7788 -3.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9093 2.0340 -5.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5194 -1.2452 -4.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8835 -4.0885 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -3.2898 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7776 -2.5145 2.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1361 -1.9762 1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8713 -0.9104 3.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2652 -0.3297 1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2741 1.1514 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2049 -0.2843 3.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4169 0.7187 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3803 -0.5779 1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3524 1.0192 3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6750 1.4359 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7315 3.4819 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5970 3.1675 3.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2247 2.7215 2.3671 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 1 0 9 11 1 0 11 12 2 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 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 12 58 1 0 13 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 0 24 72 1 0 25 73 1 6 26 74 1 0 26 75 1 0 30 76 1 0 31 77 1 0 35 78 1 0 35 79 1 0 36 80 1 0 36 81 1 0 37 82 1 0 37 83 1 0 38 84 1 0 38 85 1 0 39 86 1 0 39 87 1 0 40 88 1 0 40 89 1 0 41 90 1 0 41 91 1 0 41 92 1 0 M END