HMDB0302089 RDKit 3D trans-p-Coumaroyl beta-D-glucopyranoside 41 42 0 0 0 0 0 0 0 0999 V2000 0.3594 -1.6644 -0.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 -0.5788 -0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 -0.0387 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 -0.6881 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 -0.2183 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7338 0.9582 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0637 1.3494 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0658 0.5805 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3804 1.0161 -0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 -0.5916 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 -1.0104 -1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4577 0.1401 0.2318 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -0.3110 0.1238 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5158 0.5758 -0.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7941 0.0289 -0.7790 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4681 0.5799 -2.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7446 0.0082 -2.0776 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5366 0.3917 0.4854 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6063 -0.4844 0.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 0.3605 1.6842 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1685 1.6240 2.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 -0.5363 1.4673 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8069 -1.8715 1.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 0.8941 0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 -1.6379 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 1.5870 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 2.2863 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8916 0.7241 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4636 -1.2118 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 -1.9329 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 -1.2807 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7485 -1.0728 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5016 1.6700 -2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9104 0.1933 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6315 -0.9651 -1.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9467 1.4170 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2538 -0.1878 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 -0.0455 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8759 2.2016 2.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6767 -0.3068 2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 -1.9523 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 11 5 1 0 22 13 1 0 3 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 13 31 1 6 15 32 1 6 16 33 1 0 16 34 1 0 17 35 1 0 18 36 1 6 19 37 1 0 20 38 1 1 21 39 1 0 22 40 1 1 23 41 1 0 M END