HMDB0031695 RDKit 3D xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside 49 50 0 0 0 0 0 0 0 0999 V2000 -2.4768 4.0424 -0.6937 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 3.4203 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 3.5577 0.9443 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 2.5744 -1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 1.1672 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 0.2894 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 0.6848 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6407 -0.3506 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 -1.4643 1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4178 -2.4565 1.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5851 -2.2967 0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8078 -1.1793 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7953 -0.2097 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 1.0457 0.2116 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 0.3287 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 -0.7549 0.7934 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6553 -1.5306 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 -2.5847 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7452 -3.3812 -0.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -0.8171 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9183 -1.6748 0.1483 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8819 0.3642 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0552 1.0753 -0.3504 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 1.2072 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 2.4355 -0.4018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2533 4.2455 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2664 3.0766 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 2.5544 -2.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 0.6647 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 0.1522 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2215 -0.7177 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0613 1.6380 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 0.6864 1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 -1.6400 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2887 -3.3321 1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3622 -3.0423 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7184 -1.0435 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9892 0.6518 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 -0.0035 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -2.1179 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 -2.1359 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 -3.2506 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8404 -3.7614 0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 -0.4214 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 -1.1460 -0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.0616 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 1.1118 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 1.2470 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 3.1533 0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 5 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 13 8 1 0 24 15 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 M END