HMDB0268415 RDKit 3D PA(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/i-22:0) 134133 0 0 0 0 0 0 0 0999 V2000 19.6675 -2.6664 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6583 -2.3140 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4709 -0.8643 1.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3181 -0.2943 1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0966 -1.0100 0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6338 -0.4810 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4781 0.0890 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5056 0.2840 0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1797 -0.4201 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3508 -1.7854 0.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6105 0.2335 -0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3087 0.5746 -1.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8027 1.2217 -2.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5732 1.5745 -2.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 1.3430 -1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5151 0.4706 -1.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2085 -0.6978 -1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8109 -1.3116 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -1.5675 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -0.3197 1.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4082 0.5138 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 1.7795 0.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 0.0292 -0.6651 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 0.6742 -1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 1.5432 -1.2765 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9996 2.8003 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 3.5651 -0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 5.0327 0.2030 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8729 5.9766 -0.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 5.7138 0.4777 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 4.7112 1.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 0.8367 -0.6312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 0.6998 -1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 1.1927 -2.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.0520 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 -1.4749 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 -2.3004 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1303 -2.0480 -0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7891 -0.7704 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -0.3641 0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5264 0.9889 1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9037 1.0016 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8369 0.0493 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1779 0.1013 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7694 1.4744 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1048 1.5572 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1349 0.5742 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3399 0.8938 1.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1949 0.0317 2.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5956 -0.1756 2.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8419 -0.9715 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3621 -1.0049 0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7230 -1.7867 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2542 -3.2097 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0833 -1.0750 -1.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5360 -2.0264 -0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5984 -3.7429 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7045 -2.4791 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2297 -2.6019 2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7947 -2.9532 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3762 -0.2600 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2538 0.7870 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3986 -0.9273 1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2146 -2.1113 0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3480 -0.6110 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2463 0.4435 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2064 1.3865 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8328 0.1804 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5316 -0.2430 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2481 -2.1128 0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2328 0.4666 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7493 0.3137 -0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4960 1.4242 -3.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1878 2.0663 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.3844 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9257 1.0359 -0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8662 -2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4511 -1.2964 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 -2.3315 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6579 -0.7771 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9602 -2.2744 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 -2.1602 1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8486 0.3279 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3266 -0.6157 2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 1.2297 -2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4475 -0.1319 -2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2808 1.8884 -2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8011 3.3977 -0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 2.6526 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 5.4774 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 4.6926 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.0504 0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 0.5224 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 -1.5823 -2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 -1.9080 -0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5608 -2.3344 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -3.3897 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7849 -2.8936 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 -2.2263 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 0.0833 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 -1.0030 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8131 -0.2301 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3878 -1.0989 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8825 1.7349 0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 1.2709 2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3009 2.0406 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9135 0.9270 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9307 0.3643 2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4709 -1.0012 1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8459 -0.6419 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0432 -0.1717 -0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7451 1.8344 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1036 2.1736 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5172 2.5613 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9672 1.2601 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9407 -0.4603 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0626 0.8992 -0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3278 0.9802 2.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6853 1.9848 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2222 0.4298 3.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6948 -0.9926 2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0345 0.8797 2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2374 -0.5695 3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3285 -0.7027 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5808 -2.0496 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6831 0.0405 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8056 -1.4133 1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8362 -1.7761 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8041 -3.8394 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4442 -3.6286 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1574 -3.2305 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8527 -0.0110 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7700 -1.1496 -2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1225 -1.5637 -1.8711 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 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 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 0 24 86 1 0 25 87 1 6 26 88 1 0 26 89 1 0 30 90 1 0 31 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 54129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 55134 1 0 M END