HMDB0112085 RDKit 3D 3,4-Dimethyl-5-pentyl-2-furanpentanoic acid 45 45 0 0 0 0 0 0 0 0999 V2000 4.9453 1.2425 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 0.3152 1.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 -0.5244 1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0999 -1.5207 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6878 -1.1800 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -0.5058 -0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2377 -1.1803 -1.1898 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 -0.3982 -1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 -0.8403 -1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 -0.8812 -0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 -1.3300 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2277 -1.3418 0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2901 -0.0109 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0116 0.9084 0.8803 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 0.2468 2.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 0.8962 -1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 2.1099 -0.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9737 0.7903 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 1.9754 -0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4264 2.2274 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0344 0.8277 -0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 1.5775 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 0.9002 2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5633 -0.3205 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 0.1132 1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5176 -1.1214 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0774 -2.1373 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4354 -2.3646 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 -2.1116 -1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4419 -0.5520 -1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 -1.8730 -1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6422 -0.2184 -2.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5935 -1.6209 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 0.1350 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9556 -0.7436 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3639 -2.4177 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2792 -1.7027 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8095 -2.0826 1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9241 0.4652 3.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 2.0194 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 3.0192 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6541 2.3310 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2354 2.9196 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7309 1.9704 -1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 1.9893 0.5648 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 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 8 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 6 2 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 15 39 1 0 17 40 1 0 17 41 1 0 17 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 M END