HMDB0061644 RDKit 3D 3,4-Dimethyl-5-propyl-2-furannonanoic acid 51 51 0 0 0 0 0 0 0 0999 V2000 -6.3346 2.4503 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0115 1.7317 1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8852 1.2627 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6165 0.5392 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5961 1.0274 -1.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 0.1526 -1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 0.4184 -1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 0.8282 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -0.0736 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -1.3417 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 -1.0707 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 -0.2811 -0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8359 -0.9652 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9504 -0.2104 1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 1.1126 1.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4494 1.5664 1.4998 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5837 1.8858 2.2002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0278 -0.9751 -0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 -2.2916 -0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 -0.7586 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2034 -1.7045 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8565 2.4918 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1994 3.4913 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9944 1.8902 1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9256 0.9037 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 2.4583 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 0.6619 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8925 2.1651 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.2839 -2.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.4159 -2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4527 1.7638 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 1.2665 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 -0.3161 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 0.4760 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 -1.8905 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.0361 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 -0.6538 -2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 -2.0867 -1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 -0.2452 -1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 0.7890 -0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -1.9487 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 -1.2228 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7895 -0.0717 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3778 -0.8711 1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 2.8532 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 -3.0824 -0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 -2.6211 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -2.2855 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -2.7203 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2803 -1.4584 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 -1.8715 1.5352 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 1 0 14 15 1 0 15 16 2 0 15 17 1 0 6 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 20 4 2 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 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 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 17 45 1 0 19 46 1 0 19 47 1 0 19 48 1 0 21 49 1 0 21 50 1 0 21 51 1 0 M END