HMDB0036938 RDKit 3D 1-O-Feruloylglucose 45 46 0 0 0 0 0 0 0 0999 V2000 5.1568 1.8894 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 0.8961 1.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4928 -0.1585 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1031 -0.2273 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 -1.2798 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2205 -1.4424 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 -0.5682 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.7736 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4219 -1.7759 -1.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0028 0.1333 -0.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3668 -0.0592 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 -0.2349 0.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4246 -0.3754 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2256 -1.1532 1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -0.5221 2.7481 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 0.9771 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9364 0.9113 -0.8298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8634 1.8669 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 2.9671 -0.8628 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 1.0796 -1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 1.9308 -1.6867 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -2.2482 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8392 -2.1322 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 -1.0896 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 -1.0006 0.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3331 1.4446 2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 2.5469 2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 2.4922 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4987 0.5505 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -2.2875 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 0.2990 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 -0.9735 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4769 -0.9637 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2503 -1.2496 1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8401 -2.1797 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6716 -1.0226 3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 1.4184 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 1.7573 -0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2443 2.1937 0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0194 3.7848 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5612 0.7070 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5372 1.5167 -2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 -3.0851 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5185 -2.8841 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3694 -1.6754 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 5 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 3 1 0 20 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 25 45 1 0 M END