HMDB0268052 RDKit 3D PA(i-19:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 127126 0 0 0 0 0 0 0 0999 V2000 13.1724 5.0506 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7622 4.9637 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6717 3.9434 -1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0461 2.5382 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9193 1.5854 -2.2307 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8515 2.1260 -3.1912 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3842 0.2363 -1.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6544 -0.7331 -1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2459 -0.7458 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3779 0.3847 -1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 0.9685 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8995 0.5746 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 0.1885 1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2575 -1.0215 2.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1626 -2.1269 2.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9788 -3.3676 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 -3.7657 0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9305 -2.9971 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6888 -3.8191 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4528 -3.0899 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 -3.8542 0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -5.0130 0.8976 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 -3.2729 0.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2066 -3.9704 0.4130 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0925 -3.9393 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 -2.6637 -1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8296 -1.5359 -1.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 -1.5999 -1.6269 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 -0.2555 -1.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 0.5916 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 1.8862 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 1.5002 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1267 0.6069 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6142 0.2699 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0243 -0.6590 1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4287 -1.0986 1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4004 0.0372 1.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8336 -0.4616 1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8234 0.6458 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7556 1.6738 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9874 1.0540 -1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3026 0.3843 -1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5292 1.1920 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8045 2.2635 -2.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1456 2.9003 -1.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8368 3.3793 -2.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -3.1700 1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1551 -3.1260 2.6194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 -2.2922 3.8839 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2998 -2.7751 5.1789 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -0.6349 3.7857 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5697 -2.6436 3.9318 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8712 4.5021 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5108 6.1107 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2393 4.6358 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 5.9683 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1110 4.6649 0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6328 3.9184 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3882 4.2699 -2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0927 2.6050 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3191 2.2723 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9701 1.7430 -2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7272 1.6581 -3.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4802 -0.0124 -2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2031 -1.7432 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1044 -1.2468 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7676 -1.5841 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1319 0.7779 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1192 1.8368 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1796 1.5272 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 -0.1596 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7476 0.9595 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -1.1316 2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2139 -2.4706 3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 -1.8490 2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7738 -4.1755 1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 -4.7996 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9737 -3.0376 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8141 -1.9921 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6928 -4.8039 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6532 -3.9316 1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4872 -2.8209 -0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 -2.1084 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -5.0001 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4985 -4.3845 -1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -4.5865 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 0.2338 -2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 -0.4901 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 0.0672 0.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 0.8669 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 2.3672 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 2.5338 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9281 1.0580 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2586 2.4695 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0013 1.0801 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6285 -0.3893 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1462 1.2357 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6365 -0.2507 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3534 -1.5638 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7227 -0.2390 2.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5689 -1.7076 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5920 -1.8383 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2533 0.6687 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2482 0.5619 2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9915 -1.1624 0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9473 -1.0747 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5927 1.1846 2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8586 0.2579 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4308 2.4833 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7151 2.0746 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7660 1.7893 -1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2045 0.2502 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3195 -0.1029 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2973 -0.5196 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4019 0.4656 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6495 1.6278 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9953 1.8681 -3.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3022 3.8776 -2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0344 3.0172 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9361 2.1704 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4453 4.2972 -2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3215 3.6913 -1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1452 3.2683 -3.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 -3.6384 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -2.1254 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -0.3429 3.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 -1.9452 4.4913 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 5 6 1 0 5 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 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 44 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 6 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 1 25 85 1 0 25 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 51126 1 0 52127 1 0 M END