HMDB0030992 RDKit 3D 5-Butyltetrahydro-2-oxo-3-furancarboxylic acid 27 27 0 0 0 0 0 0 0 0999 V2000 3.5135 0.4361 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5316 -0.2771 1.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -0.9576 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 0.1110 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 -0.3456 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3632 -1.0295 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 0.1543 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.0019 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 -0.9951 -0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4293 0.9668 0.3104 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 1.3160 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9181 2.5149 -0.5143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 0.8373 -1.7911 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5203 -0.0397 -0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2241 1.5160 0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5276 0.3941 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -0.9670 1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 0.5052 1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 -1.4891 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9406 -1.7194 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 0.8982 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 0.6193 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1535 -0.9355 -2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0716 -1.5812 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0163 -1.7444 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8729 0.2527 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2117 1.5572 1.1225 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 8 10 1 0 7 11 1 0 11 12 2 0 11 13 1 0 13 5 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 10 27 1 0 M END