HMDB0295529 RDKit 3D DG(16:0/0:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 111110 0 0 0 0 0 0 0 0999 V2000 13.8637 -5.6397 1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1528 -4.2818 0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4340 -4.2762 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5124 -3.4317 -0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0471 -2.3171 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3110 -1.0759 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 -0.2546 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9591 -0.4702 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4980 0.6826 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2138 0.8067 1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4649 1.9093 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 2.8310 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5058 4.0159 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5992 4.9390 -1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4941 4.8661 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 4.8904 -0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3105 3.9576 -0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 2.7079 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 1.5342 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 1.4667 -1.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 1.2516 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 0.0497 -0.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 2.2543 -0.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4088 2.0310 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 1.4453 2.0574 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4357 0.1477 1.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 1.3938 3.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 0.6026 3.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 0.7496 2.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4505 1.7981 1.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -0.3082 2.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5659 0.2047 1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5941 -0.8775 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8358 -0.4124 0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5048 -0.0919 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6032 0.3676 -1.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7063 -0.5182 -2.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5188 -1.1509 -0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7117 -1.9300 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6598 -1.0717 -2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2097 0.0502 -1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9259 -0.4338 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1034 -1.3150 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6643 -1.6829 0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8618 -2.5794 0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8248 -5.6776 1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0740 -6.4606 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5253 -5.7869 2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2587 -4.3591 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0312 -3.4648 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6858 -5.0528 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9853 -3.4604 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0103 -2.5418 0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6792 -2.2463 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3716 -0.8743 -0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5933 0.6684 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3741 -0.3050 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6215 -1.4310 -0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 0.4471 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2371 -0.0471 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2001 2.1206 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 2.6387 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2982 4.1551 -1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6490 5.8098 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 5.8971 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5814 4.1360 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 5.7916 -1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3925 4.0944 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6153 2.5461 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4059 2.6478 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2705 1.6899 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 0.6205 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2193 0.5967 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 2.3537 -2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 1.2788 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1318 2.9817 0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8238 2.0790 2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 -0.4607 2.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 2.4486 3.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5119 1.1138 4.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -0.5515 3.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -1.2086 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9071 1.1606 1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 0.2919 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1611 -1.7380 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8595 -1.2093 2.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1862 0.5703 1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6353 -1.1012 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9981 -0.9920 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6912 0.6979 -0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9873 1.3504 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1002 0.7241 -2.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2719 -1.2955 -2.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4325 0.0328 -2.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8345 -0.4401 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9056 -2.0255 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2354 -2.3762 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3170 -2.7220 -2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5421 -1.7039 -2.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2578 -0.6422 -3.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9272 0.6155 -2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4245 0.7500 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2954 0.4848 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2271 -0.9183 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8440 -2.2615 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8948 -0.7616 -1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8298 -2.2275 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8700 -0.7901 1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4593 -2.2095 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4223 -2.6962 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4773 -3.5890 0.4399 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 1 0 9 11 1 0 11 12 2 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 43 44 1 0 44 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 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 10 60 1 0 11 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 44107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 M END