HMDB0007254 RDKit 3D DG(18:2(9Z,12Z)/20:2(11Z,14Z)/0:0) 118117 0 0 0 0 0 0 0 0999 V2000 13.5872 -3.0043 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6441 -2.5543 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8332 -1.0874 0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5704 -0.2919 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1764 -0.4131 -0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2126 0.0080 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3536 0.9861 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2567 1.8607 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5433 3.2502 -0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6574 4.1969 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3339 4.0282 -1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 4.4711 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2785 3.7493 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9106 2.2966 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8741 1.5837 2.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.1427 1.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1209 -0.0405 1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 0.6057 2.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6758 0.4636 1.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 -0.9080 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -1.8722 1.8116 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 -1.2099 0.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 -2.5147 0.7742 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7011 -2.8400 1.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 -4.1585 1.4387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7828 -2.9864 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7503 -2.2884 -1.2983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8286 -0.9625 -1.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 -0.2145 -1.2815 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9706 -0.3980 -2.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 -0.0201 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 -1.1974 -0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1482 -2.3075 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7076 -3.4828 -1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9357 -3.1958 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0613 -2.7171 -1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2578 -2.4558 -0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8837 -1.3057 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4578 -0.0690 -0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5688 0.3355 -1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1823 1.4810 -1.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8357 2.4925 -0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0465 2.7561 0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3871 1.4428 0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5751 1.5326 1.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7937 1.9859 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6802 -4.0951 -0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5968 -2.5695 -0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1610 -2.7817 -1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9566 -3.0825 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6066 -2.7615 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1649 -0.7086 1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9154 -0.9093 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6645 0.7977 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 -0.4150 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0046 -1.5311 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0928 -0.0044 -1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2221 -0.5932 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 1.1612 0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0489 1.5403 -1.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2815 1.6842 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5440 3.4679 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9234 5.2289 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2515 4.8161 -2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0861 3.1028 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 5.5787 -0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3029 4.3548 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 3.8726 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4259 4.1872 1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 2.3043 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5895 1.8379 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9046 1.6317 2.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 2.0881 2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2059 -0.3946 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5752 -0.3168 2.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 0.2877 0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -1.1343 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 0.2830 3.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 1.7157 2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 1.0723 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 0.9635 2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -3.1806 1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 -2.1137 1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 -2.7856 2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -4.3701 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 -2.9787 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 -4.0677 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 -1.0763 -3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 0.5242 -2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9061 0.4325 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 0.7472 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 -1.5642 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -0.8720 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8783 -1.9591 -2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -2.6412 -2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9093 -3.9072 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9135 -4.2910 -1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7673 -2.4785 0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2771 -4.1441 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7276 -1.8583 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2953 -3.5968 -1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6791 -3.3110 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7732 -1.2751 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5833 -0.2376 -1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1314 0.6670 -0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9080 -0.3541 -2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0221 1.7526 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6217 3.4596 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9961 2.2931 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8036 3.5024 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8839 3.1122 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5921 0.6877 0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4865 1.0911 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3880 2.1799 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7906 0.5066 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7692 3.0679 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7953 1.4519 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7181 1.7341 1.5561 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 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 23 82 1 1 24 83 1 0 24 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 46118 1 0 M END