HMDB0033082 RDKit 3D (±)-3-(4-Hydroxyphenyl)-1,2-propanediol 4'-O-glucoside 45 46 0 0 0 0 0 0 0 0999 V2000 6.1847 1.6823 1.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 0.5933 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4001 0.2276 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7217 -0.0750 -0.9361 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 -1.0370 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1755 -0.8687 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 -1.1599 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -0.9987 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 -0.5451 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 -0.4176 0.7699 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 0.0168 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 1.0818 0.7777 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7171 1.4224 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8943 2.3072 -0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2453 2.6169 -0.8212 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6932 0.3014 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0959 0.0976 -0.8273 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9829 -0.9548 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8293 -2.0349 1.0777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8505 -1.1678 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 -1.2616 -1.2481 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -0.2570 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 -0.4153 -1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1156 1.5133 0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3398 0.8699 1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 -0.2824 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 1.0696 -1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 -0.0674 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7077 -1.3797 -1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0572 -1.8320 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 -1.5202 1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 -1.2475 2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6147 0.2572 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0307 2.0736 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 3.2285 -0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5091 1.7833 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4102 3.5684 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 0.4926 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7145 -0.6915 -0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 -0.6795 1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7032 -2.4793 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 -2.1320 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8309 -1.6184 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 0.0961 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5235 -0.1764 -2.3479 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 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 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 9 22 1 0 22 23 2 0 23 6 1 0 20 11 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 M END