HMDB0032871 RDKit 3D Sedanonic acid 33 33 0 0 0 0 0 0 0 0999 V2000 4.2758 0.4984 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -0.9830 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 -1.1213 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 -0.5113 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 -0.6406 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 -1.1995 -1.3201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0613 -0.1068 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 1.3475 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 2.1580 0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 1.7435 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2629 0.2869 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 -0.5685 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5116 -2.0080 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6144 -2.8088 0.0353 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6632 -2.5440 -0.8597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 0.9707 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 1.0096 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3803 0.5055 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 -1.3864 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0633 -1.4619 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.1916 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 -0.6115 -1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 0.5809 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 -0.9779 1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 -0.5762 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2219 1.7190 -0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3101 1.5552 1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8725 3.2125 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 2.1546 1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 2.1832 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 2.1525 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1653 -0.1767 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -2.2039 -0.5304 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 12 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 15 33 1 0 M END