HMDB0295027 RDKit 3D DG(14:0/0:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 107107 0 0 0 0 0 0 0 0999 V2000 13.9519 -2.1957 -1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9382 -1.0022 -1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6134 0.0710 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0116 1.3913 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6984 1.5504 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5676 0.9470 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5182 1.6126 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3732 3.0642 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1821 3.5405 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.0524 -0.3562 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2502 2.8509 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4261 1.4501 1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 1.1069 2.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4423 0.1207 2.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 -0.7657 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 -0.7078 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 -1.8023 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -3.1596 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1038 -3.8794 1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8059 -4.2160 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 -3.1506 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -3.0302 -1.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 -2.2611 0.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 -1.2350 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 -0.4160 1.3823 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7881 -1.2438 2.1974 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9197 0.6851 0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9273 0.1629 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9806 -0.5780 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1674 -0.8655 1.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9437 -1.0696 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0859 -0.0045 -0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0499 -0.4970 -1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1787 0.3052 -2.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2475 0.7938 -1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8564 1.7712 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9429 2.3034 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6428 1.4255 1.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4660 0.2747 1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7028 0.3805 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6010 0.8306 -0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9773 0.8651 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7438 1.3318 -3.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8418 -1.9013 -1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1310 -2.4378 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3692 -3.0107 -1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1190 -1.4923 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5998 -0.7345 -2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6752 0.2135 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8269 -0.3557 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9320 1.9092 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7919 2.0423 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4951 2.5978 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8123 1.0187 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5035 -0.1419 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7332 1.0366 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3097 3.5830 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2131 3.4335 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2022 4.6803 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4887 3.4846 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 1.5241 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 0.7263 0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 1.7497 3.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5545 -0.1013 2.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5217 -0.4804 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -1.8285 1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 0.2562 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 -1.6949 -0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1582 -3.7562 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 -3.3549 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 -4.8458 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -3.3282 1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -5.0217 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 -4.7495 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2931 -1.6289 -0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1823 -0.5734 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2146 0.0598 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 -1.4129 3.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 1.3124 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 1.3962 0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -1.2043 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4041 -2.0016 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6431 0.9456 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4579 -0.0321 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -0.7392 -2.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3559 -1.5508 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6820 -0.2109 -2.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7680 1.2469 -2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9912 1.3165 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7848 -0.0741 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3254 2.6687 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0923 1.3582 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3966 3.1058 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6089 2.9787 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8886 1.0673 2.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2865 2.1143 2.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8576 -0.1118 2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9286 -0.6805 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3997 1.0570 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2002 -0.6382 0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1763 1.8176 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0249 0.0786 -1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6697 1.5132 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3705 -0.1672 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7332 0.9500 -3.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5466 0.9650 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6960 2.4318 -3.0058 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 1 0 10 11 1 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 11 9 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 24 76 1 0 25 77 1 1 26 78 1 0 27 79 1 0 27 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 M END