HMDB0295757 RDKit 3D DG(17:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 117116 0 0 0 0 0 0 0 0999 V2000 14.7258 1.3402 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2929 0.8726 1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3272 -0.0409 0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1436 -1.2740 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8123 -1.9976 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4820 -2.4704 -1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5022 -2.2828 -1.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3256 -1.4819 -1.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1030 -0.8512 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 0.4693 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2294 1.4823 -1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1942 2.4254 -1.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 2.5188 -1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2323 1.7073 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0269 1.1742 -1.1151 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3540 2.3458 -1.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 0.3184 -0.3300 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8700 -0.8562 -0.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5646 0.8777 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7715 2.1146 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 2.1452 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 1.1714 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 0.3944 1.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 1.1179 -0.2431 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 0.2119 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8123 0.4756 -0.8666 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1391 1.8029 -0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9589 -0.4612 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -0.1604 -1.7351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 0.9976 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 1.8885 -0.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6075 1.2944 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6768 0.2977 -2.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 0.0102 -1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1112 -0.5830 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2125 -0.8721 0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8986 0.3843 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9923 -0.0173 1.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6933 1.2371 2.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8064 0.9339 3.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8903 0.1002 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5557 0.7748 1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6688 -0.0242 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2845 -1.3627 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4206 -2.1237 -0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5435 -2.3959 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6672 -3.1652 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4114 2.2096 2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8213 1.6521 3.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2409 0.4830 2.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1909 1.8006 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3217 0.3763 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3429 0.3917 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9765 -1.8813 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0611 -2.9331 0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0779 -1.4758 0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2976 -3.1696 -1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5230 -2.8072 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4312 -2.2252 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1155 -0.8090 -2.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9101 -1.4557 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9130 0.7848 0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1333 2.1277 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6794 0.9858 -2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5172 3.1999 -2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3823 3.3629 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8088 2.4147 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7872 0.9242 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 0.6949 -2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7753 2.0902 -2.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2747 -0.0628 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7149 -1.0965 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 0.0692 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3503 1.0284 1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4493 2.9653 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 2.4609 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 2.1089 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0437 3.1589 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 -0.8101 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0246 0.3943 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 0.4059 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3587 2.3296 -0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -0.3158 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 -1.4987 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 1.2835 -3.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0142 2.3524 -2.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3173 0.6860 -3.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2231 -0.6843 -3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1967 0.9746 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4530 -0.6344 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6194 -1.5833 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3527 0.0718 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9330 -1.5328 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7338 -1.4043 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1892 1.0761 1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3809 0.8430 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7192 -0.6696 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5154 -0.5060 2.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0775 1.7754 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9430 1.9269 2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2158 1.8952 3.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3376 0.3843 4.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6410 -0.1360 3.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4612 -0.8867 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7929 1.0624 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9590 1.7488 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4537 -0.1131 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0788 0.5906 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8910 -1.9656 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5256 -1.2215 -0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0173 -3.0972 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8593 -1.6352 -1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2127 -2.9791 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9304 -1.4350 1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6378 -2.7605 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6194 -4.2326 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5854 -3.0812 -1.1117 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 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 45 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 6 16 70 1 0 17 71 1 6 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 25 79 1 0 25 80 1 0 26 81 1 6 27 82 1 0 28 83 1 0 28 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 M END