HMDB0267327 RDKit 3D PA(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(17)) 106105 0 0 0 0 0 0 0 0999 V2000 -11.6769 2.8988 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7095 1.7207 -0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2162 1.4693 -2.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2594 0.3160 -2.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1505 0.5086 -1.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9166 -1.0082 -1.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9131 -2.0655 -1.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5612 -2.8711 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1574 -2.8052 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3550 -2.5051 1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1053 -2.1987 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1436 -2.0683 0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 -3.0466 0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -2.7047 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -1.3190 0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4836 -1.1578 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -0.2848 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 0.6764 3.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4248 2.1307 3.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 2.6603 1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 2.2372 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 2.9543 2.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 1.2220 1.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 1.0514 1.2324 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4536 1.2472 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 1.0875 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7146 1.2816 -0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 1.6031 -2.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 1.1340 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9034 2.2049 -1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 2.3281 -1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1575 1.3088 -2.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1098 -0.1003 -1.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1183 -0.9531 -2.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5356 -0.5116 -2.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 -0.6418 -1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3306 -0.2032 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6681 -0.3503 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4565 1.2635 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 -0.2395 1.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -1.3960 1.2139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4897 -2.6705 2.1497 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4411 -3.5048 2.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 -2.0055 3.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -3.6753 1.1862 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3522 3.6290 -1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7278 2.5709 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5968 3.3271 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8353 1.9605 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1878 0.8025 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6989 2.3552 -2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1068 1.2874 -2.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9044 0.1893 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3847 0.9356 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6096 -1.2069 -2.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4840 -0.9628 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3626 -2.2397 -2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7947 -3.6643 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1305 -2.2211 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5899 -3.8718 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9278 -2.5429 2.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7543 -2.0258 2.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5666 -1.9808 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6775 -1.0102 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3073 -4.1200 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0499 -3.5225 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 -0.5507 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4932 -1.3344 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6389 -1.8579 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -0.2678 3.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3434 0.5290 4.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5701 0.4465 2.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3885 2.7050 3.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9698 2.3112 4.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 2.5241 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 3.8006 2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3175 1.8527 1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0576 0.4660 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1679 2.2632 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3879 1.2755 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 0.1168 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4787 3.1933 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5108 2.1633 -2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 3.3388 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7936 2.5778 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9469 1.4263 -3.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2530 1.6381 -2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2066 -0.3078 -0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1215 -0.5422 -2.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0103 -1.9819 -2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8217 -0.9586 -3.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1842 -1.2695 -3.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7857 0.4876 -2.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8471 -1.7146 -0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1815 -0.0361 -0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9969 -0.8205 -1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2288 -1.3139 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2720 0.4977 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7529 -0.4509 0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6519 1.3651 -2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4868 1.7678 -1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2226 1.7830 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 -0.2825 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 -0.2877 2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 -1.7449 2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 -3.5140 1.3729 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 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 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 2 0 27 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 1 0 36 37 1 0 37 38 1 0 37 39 1 0 24 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 1 25 78 1 0 25 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 44105 1 0 45106 1 0 M END