HMDB0267804 RDKit 3D PA(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-16:0) 120119 0 0 0 0 0 0 0 0999 V2000 -16.5470 -1.1296 2.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9180 -1.3616 1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5829 -1.9328 1.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4838 -1.3474 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4709 -0.0718 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6732 0.8792 1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5968 1.4447 0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9724 1.2710 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6174 0.7501 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1668 -0.3903 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9322 -1.3054 -1.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6178 -1.6372 -2.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7165 -1.1975 -3.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6899 -0.1911 -3.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3839 -0.7984 -3.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3862 -0.8445 -2.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -0.2895 -1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -0.3089 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1373 -0.9888 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 -1.4479 0.1418 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 0.0318 -1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0834 1.2405 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 0.9005 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -0.1611 0.1353 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 1.6835 1.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1973 1.3917 2.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 1.4227 2.0543 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7107 2.8473 1.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 2.8439 1.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 4.3393 1.2274 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2479 4.9896 2.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 5.4015 0.6152 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 4.2765 0.1663 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 0.5674 1.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -0.3936 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 -0.5134 2.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1016 -1.2459 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2549 -0.6290 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5122 -0.5019 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9472 -1.8622 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 -1.9841 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4748 -1.5986 0.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7847 -0.2145 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 -0.2526 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7121 1.1093 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0974 1.3833 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2252 1.1970 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6585 -0.0866 0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1179 -1.1539 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2993 -0.7409 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0705 -1.9110 -0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4046 -1.8119 2.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9341 -0.1097 2.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8421 -1.3561 3.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5406 -2.1334 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9722 -0.4404 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5089 -2.9140 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5273 -1.8661 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4514 0.4318 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0429 -0.1628 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0242 1.0961 2.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0917 2.1338 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5808 0.7969 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8192 2.3718 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9612 1.3945 0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1154 -0.7115 -0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0321 -1.0188 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9939 -2.3178 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3036 -2.4512 -3.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6574 -1.6279 -4.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8432 0.7019 -4.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7459 0.2600 -2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2814 -1.2611 -4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4508 -1.3474 -3.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2982 0.2600 -1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 0.1514 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -1.8596 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -2.3447 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 0.3642 -2.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3904 -0.4309 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0648 1.5439 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6737 2.0828 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 0.4012 2.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 2.2014 3.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.2702 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 3.1187 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3856 3.5615 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 5.1005 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 4.4846 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 -2.2711 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 -1.2080 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 0.4269 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4805 -1.1230 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2142 0.1180 -0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1756 0.0569 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 -2.5885 -0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 -2.2635 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2314 -3.0846 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8965 -1.5072 2.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1882 -1.8394 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8686 -2.3321 0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3777 0.1386 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6760 0.4992 1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7971 -0.6000 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4032 -0.9811 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0504 1.3890 -1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3682 1.8048 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1037 2.5139 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2604 0.9498 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9958 1.8566 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1617 1.7664 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9995 -0.5516 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5819 0.1765 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5874 -1.9427 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2742 -0.8769 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2522 0.3301 -1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3442 -1.3290 -1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5018 -2.8466 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 -2.3474 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6121 -1.3750 -1.6592 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 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 26 83 1 0 26 84 1 0 27 85 1 1 28 86 1 0 28 87 1 0 32 88 1 0 33 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 50115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 51120 1 0 M END