HMDB0112093 RDKit 3D 5-Heptyl-2-furanheptanoic acid 51 51 0 0 0 0 0 0 0 0999 V2000 -8.5572 0.1423 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4433 0.9951 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0786 0.5125 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8438 -0.8924 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5069 -1.4098 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 -0.5970 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 -1.1526 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 -0.3321 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 0.8082 1.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 1.3165 1.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 0.4704 1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5462 0.5624 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 1.3817 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 1.5096 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 0.1697 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7038 0.2903 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 -1.1306 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6865 -1.0963 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2989 -0.0129 -0.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4044 -2.2715 -0.6544 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 -0.4718 0.4028 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9580 -0.4916 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4062 0.7804 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2727 -0.4776 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5185 1.0514 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5874 2.0312 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0356 0.5663 -1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3407 1.2374 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6163 -1.5337 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9379 -0.9102 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4002 -2.4396 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4519 -1.5626 -1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4471 0.4780 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 -0.6600 1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9218 -2.2074 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9945 -1.0950 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0195 1.2440 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 2.1811 2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0011 -0.4517 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 1.0286 1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7265 0.9327 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 2.3762 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7837 2.0809 -1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 2.0873 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9809 -0.5180 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 -0.3022 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0339 0.9308 -1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 0.6622 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8188 -1.7875 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8765 -1.5691 -1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9930 -2.4540 -1.4779 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 2 0 18 20 1 0 11 21 1 0 21 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 9 37 1 0 10 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 20 51 1 0 M END