HMDB0040866 RDKit 3D 1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose 45 46 0 0 0 0 0 0 0 0999 V2000 8.5407 0.9219 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 0.5576 1.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2366 0.4934 0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 0.1430 1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 0.0790 1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5766 0.3585 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 0.2898 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -0.0350 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 -0.0783 -0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 0.1956 -1.5352 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 -0.4178 0.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 -0.4724 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 0.4241 0.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6157 0.5346 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4881 1.5222 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8474 2.7437 0.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3644 -0.7769 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4494 -0.5987 -0.9069 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4571 -1.8543 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0999 -3.0808 -0.6094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 -1.8493 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 -2.0304 1.5353 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 0.7119 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 1.0133 -2.3905 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8929 0.7789 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 1.9812 -0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4362 0.2290 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5655 0.7814 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 -0.0828 2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 -0.2007 1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9312 0.5249 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 -0.2741 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 -0.1998 -1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 0.9269 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5071 1.5878 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5965 1.1041 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 2.7594 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7557 -1.0728 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2063 -0.1404 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1604 -1.5376 -1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 -3.3874 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4956 -2.6536 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8231 -1.9928 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 1.0151 -2.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 1.0589 -1.3927 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 6 23 1 0 23 24 1 0 23 25 2 0 25 3 1 0 21 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 12 33 1 0 14 34 1 0 15 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 24 44 1 0 25 45 1 0 M END