HMDB0037997 RDKit 3D Delphinidin 3-glucoside 54 57 0 0 0 0 0 0 0 0999 V2000 5.4089 1.1115 -2.6297 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 0.9048 -2.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6244 0.6297 -1.0888 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2592 0.4396 -1.0869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7399 0.1831 0.1891 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4974 -0.1887 0.0934 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 -0.5626 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 -1.8891 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 -2.3296 -0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5027 -3.6113 -1.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3973 -4.3679 -1.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7772 -4.0580 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 -3.2349 -0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1053 -3.7419 -0.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6084 -1.9655 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3135 -1.5029 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 -0.3148 0.2158 O 0 0 0 0 0 3 0 0 0 0 0 0 -1.8361 0.1889 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 1.5500 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8326 2.0018 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 3.2789 2.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9742 3.6767 2.9341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8804 4.1787 1.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8695 5.4770 2.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 3.7740 1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 4.5976 0.8238 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7738 2.4657 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -0.9287 0.8898 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4058 -0.3030 1.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3037 -1.6274 -0.2171 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4680 -1.7815 -1.3121 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -0.6149 -0.6536 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1249 -0.3258 0.4825 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8773 0.8582 -1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 0.1008 -3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5555 1.8341 -2.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 1.4981 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 1.1216 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -2.4529 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 -5.2929 -1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 -5.0641 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8977 -3.1960 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4249 -1.3177 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6475 1.3305 1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1024 4.5814 3.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 5.8578 2.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 5.5526 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 2.1827 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 -1.6120 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -0.4902 2.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7684 -2.5769 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 -1.9039 -2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0415 -1.0176 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 -1.1034 0.9549 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 5 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 3 1 0 18 7 1 0 27 19 1 0 16 9 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 1 5 38 1 1 8 39 1 0 11 40 1 0 12 41 1 0 14 42 1 0 15 43 1 0 20 44 1 0 22 45 1 0 24 46 1 0 26 47 1 0 27 48 1 0 28 49 1 1 29 50 1 0 30 51 1 1 31 52 1 0 32 53 1 6 33 54 1 0 M CHG 1 17 1 M END