HMDB0295983 RDKit 3D DG(18:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/0:0) 122121 0 0 0 0 0 0 0 0999 V2000 -18.6218 -1.8123 1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3890 -1.7502 2.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3254 -2.6823 1.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1453 -2.2465 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6715 -0.8493 1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2465 -0.4845 -0.0181 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.2012 -1.3206 -0.4401 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8812 0.9088 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7011 1.4703 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4639 2.8843 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3014 3.4787 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1370 2.7280 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9811 3.3637 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7047 2.7768 0.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6765 3.3524 0.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7051 1.2792 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8809 0.9741 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0884 0.2898 -1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -0.3626 -1.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1875 -0.4001 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 0.1311 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 0.7999 -0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 0.1256 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 0.1258 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0414 0.7401 0.8974 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 -0.6849 -0.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 -0.7957 0.5069 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0473 -2.2375 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1365 -3.1354 0.0421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 -0.7504 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -0.8162 0.6739 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 0.1778 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0221 1.1636 1.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 0.1259 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 -1.0909 2.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 -1.4729 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5852 -0.6268 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2918 0.7115 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 0.6100 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0705 -0.0855 -2.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1322 0.5561 -2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3901 1.0520 -2.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3763 0.1748 -1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6006 1.0568 -1.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6567 0.2809 -0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2105 -0.8892 -1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2913 -1.6260 -0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4838 -0.7659 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5920 -1.4903 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1625 -2.0073 1.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4785 -2.3051 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2796 -2.3115 0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8628 -0.7672 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0829 -0.7388 2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7615 -2.1738 3.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5252 -3.7694 1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3988 -3.0035 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6952 -0.8730 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2784 -0.1130 1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1109 -0.7946 -0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5627 -0.7707 -0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6746 1.6060 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9068 0.8524 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3453 3.4673 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2244 4.5355 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1724 1.6952 0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9798 4.4507 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5659 3.0445 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 3.5732 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5399 0.8607 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7945 0.9163 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8164 1.3996 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4611 0.1964 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0207 -1.5126 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 -0.1749 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6356 -0.9249 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5539 0.0549 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 1.7925 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 1.1711 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 -0.9631 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 0.6515 -2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 -0.1585 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0321 -2.2844 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7698 -2.3975 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2683 -4.0447 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6341 -1.6207 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 0.1582 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4771 1.0936 2.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 0.0330 3.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -1.1732 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9962 -1.9600 2.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.7340 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9806 -2.4884 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2328 -1.2124 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -0.4585 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 1.4381 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 1.1534 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3221 1.7028 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 0.3010 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 -0.4294 -2.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4854 -1.0864 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3017 -0.0928 -3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 1.4744 -3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9735 1.4525 -3.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2696 2.0102 -1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 -0.6365 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0425 -0.2652 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 1.4836 -2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2630 1.8607 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2464 -0.1501 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4762 0.9855 -0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3928 -1.6087 -1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -0.5047 -2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8282 -2.0191 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5920 -2.4895 -1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8772 -0.4166 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1764 0.1191 0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9474 -2.3609 -0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4445 -0.7936 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4504 -1.3191 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0642 -2.0267 2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7250 -3.0048 1.4445 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 6 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 1 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 27 82 1 1 28 83 1 0 28 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 50122 1 0 M END