HMDB0061643 RDKit 3D 3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 39 39 0 0 0 0 0 0 0 0999 V2000 -5.8691 -0.0427 -0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4547 0.2716 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -0.9669 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 -0.7368 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 -0.1824 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0926 0.0669 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 -0.7061 -0.7489 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 -0.2326 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 -0.8062 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -1.4627 0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 -1.9927 0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8161 -1.8626 -0.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9472 -2.6430 1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7512 0.9382 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 1.8395 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 1.7552 2.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 2.8748 0.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.1413 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 2.3086 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5584 0.6170 -0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1201 -1.1191 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0312 0.1574 -2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4931 0.9550 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 0.7531 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 -1.6958 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2698 -1.4865 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2335 -0.0440 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 -1.7380 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5232 -0.8286 -1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 0.7956 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4283 -1.5901 -1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0735 0.0076 -0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2028 -2.2800 1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -0.7713 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -2.1171 2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 2.9603 -0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 2.4703 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 2.1423 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 3.2505 0.3132 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 2 0 11 13 1 0 8 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 14 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 13 35 1 0 17 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 M END