HMDB0030994 RDKit 3D 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid 36 36 0 0 0 0 0 0 0 0999 V2000 3.6724 2.2835 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 0.9900 -0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 0.1006 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 -1.2267 0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 -1.5353 0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 -1.1473 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9235 -1.6045 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 -1.2417 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 0.2572 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7036 0.5487 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9731 1.8091 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 2.7654 0.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5399 1.9703 1.9025 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2084 -0.6008 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3154 -0.6645 1.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 -1.6144 0.7016 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7106 2.0263 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 2.7369 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2947 3.0017 -1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9635 0.5802 -1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8039 1.3593 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4877 -0.0182 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5044 0.7081 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 -1.7105 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0384 -1.9152 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 -1.2580 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 -2.6746 1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -1.5334 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2873 -0.0421 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 -1.1280 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -2.6952 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -1.7863 -0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 0.5784 -1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6947 0.7678 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1891 0.5527 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7794 1.3606 2.6620 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 10 14 1 0 14 15 2 0 14 16 1 0 16 8 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 13 36 1 0 M END