HMDB0271333 RDKit 3D PG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-14:0) 125124 0 0 0 0 0 0 0 0999 V2000 14.9008 3.4424 -0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8030 2.0173 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5620 1.8421 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5868 1.0096 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6827 0.0383 -0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5880 -1.2952 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6749 -2.1539 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5825 -2.1201 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3309 -1.0728 -1.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3122 -0.2871 -2.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1098 -0.1839 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7596 -1.0929 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 -0.7873 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8681 0.5316 1.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 1.3498 2.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 1.1681 2.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8703 0.0016 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5637 -0.1042 2.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 0.9166 2.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 0.3500 3.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 2.0788 1.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7888 1.6649 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 1.1456 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 1.1097 1.6766 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1535 0.6879 -0.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 0.1982 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 -1.0067 0.2137 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9722 -2.2389 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 -2.4266 -1.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -3.8354 -2.1233 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3682 -3.4716 -3.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 -4.4806 -0.9354 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 -4.9513 -2.6461 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 -4.2968 -3.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -5.2814 -3.7959 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2081 -6.2813 -4.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4302 -5.8769 -2.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4993 -6.6763 -2.9577 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 -1.3180 -0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1241 -1.2296 0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8443 -0.8514 2.0344 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -1.5617 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4379 -1.2443 1.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8973 -1.5321 1.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3598 -0.7267 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8091 -0.9693 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6862 -0.5874 1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4916 0.8644 1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7795 1.8011 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5545 3.2271 0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8074 4.2067 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5865 5.6388 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4976 6.0659 1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7905 6.5332 -1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8659 3.6980 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6500 3.5118 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1816 4.1777 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7119 1.9699 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 1.3581 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4222 2.5184 1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7076 0.9689 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8826 0.3331 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6834 0.1920 -0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3741 -1.5416 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7636 -3.1239 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7741 -3.0692 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6731 -2.5063 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1130 -0.9267 -2.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3684 0.4827 -2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1801 -0.2511 -1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9801 0.9157 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5181 -2.1557 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 -1.6571 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3731 1.1742 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7295 0.4981 2.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 2.3363 2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 1.9432 2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3293 -0.8386 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 -1.0049 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2808 1.3211 3.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -0.6285 3.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7036 2.8084 2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 2.7344 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3622 0.8097 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 2.5049 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 1.0300 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 -0.0250 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 -0.6998 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0795 -2.2485 0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 -3.1093 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0467 -5.2681 -0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2015 -3.8491 -4.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 -3.4766 -2.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5133 -4.7368 -4.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 -6.8888 -4.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7464 -6.4651 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8026 -5.0494 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3462 -6.2030 -2.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5516 -2.6839 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7871 -1.0441 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -1.7366 2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3753 -0.1407 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0199 -2.6274 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4258 -1.2025 2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2034 0.3507 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7285 -0.9288 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0815 -0.3702 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9666 -2.0471 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4095 -1.1819 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7622 -0.7729 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4787 1.0457 1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2271 1.0772 2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8039 1.6680 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0294 1.5853 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2717 3.3889 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5179 3.3308 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0944 4.0198 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8772 4.1471 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5234 5.7126 0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1011 5.2395 1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9224 6.6062 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2264 6.8158 0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5853 7.2576 -0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1425 5.9428 -2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8210 7.0366 -1.3394 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 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 27 39 1 0 39 40 1 0 40 41 2 0 40 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 52 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 19 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 1 28 89 1 0 28 90 1 0 32 91 1 0 34 92 1 0 34 93 1 0 35 94 1 6 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 42 99 1 0 42100 1 0 43101 1 0 43102 1 0 44103 1 0 44104 1 0 45105 1 0 45106 1 0 46107 1 0 46108 1 0 47109 1 0 47110 1 0 48111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 52119 1 0 53120 1 0 53121 1 0 53122 1 0 54123 1 0 54124 1 0 54125 1 0 M END