HMDB0037366 RDKit 3D Quercetin 3-(6''-acetylglucoside) 58 61 0 0 0 0 0 0 0 0999 V2000 6.3593 0.0460 -2.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9789 0.5062 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 1.6668 -2.3052 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0608 -0.3131 -1.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 0.0540 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 1.2519 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 1.5548 0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6327 0.7877 0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 1.1806 0.9838 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 0.2429 0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3631 -0.0704 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 0.5192 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 1.6606 -1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1041 2.1283 -3.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 1.4435 -4.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2983 1.9024 -5.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 0.2908 -3.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7328 -0.3931 -5.1048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 -0.1503 -2.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 -1.0059 -0.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6804 -1.6181 0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6946 -2.5854 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1186 -3.2586 1.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1257 -4.2074 1.7035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 -2.9712 3.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 -2.0230 3.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9577 -1.7430 4.3992 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 -1.3344 2.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 -0.3809 2.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 -0.1203 3.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 1.0441 2.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4824 -0.1921 2.8928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 1.7531 2.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2559 1.6560 3.3441 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 0.9488 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 1.3237 1.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4131 -0.8685 -2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8388 -0.0979 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9682 0.8164 -2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1561 0.2319 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -0.7936 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 2.1581 -0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -0.3123 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0184 2.2532 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 3.0271 -3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 2.7362 -5.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2647 -1.2407 -5.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 -1.0773 -2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1473 -2.8032 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8525 -5.1637 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 -3.5119 3.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2674 -2.2382 5.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 1.6468 2.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 -0.1313 3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 2.7787 1.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 2.5570 3.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1716 -0.1186 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 0.5577 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 11 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 8 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 6 1 0 29 10 1 0 19 12 1 0 28 21 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 8 43 1 0 13 44 1 0 14 45 1 0 16 46 1 0 18 47 1 0 19 48 1 0 22 49 1 0 24 50 1 0 25 51 1 0 27 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 35 57 1 0 36 58 1 0 M END