HMDB0030775 RDKit 3D Quercetin 3-galactoside 53 56 0 0 0 0 0 0 0 0999 V2000 0.0814 -2.8380 1.6132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -2.0033 1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 -0.6657 1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.2787 1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4226 -0.4183 -0.1407 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0780 0.7548 -0.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 0.6621 -1.7167 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2087 1.9990 -2.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 1.9298 -3.4026 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6381 -0.4305 -1.8176 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8667 -0.0103 -2.2848 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 -0.9923 -0.4225 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4476 -0.0717 0.4159 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5096 -1.4633 0.0900 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2116 -2.6351 -0.6045 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 0.1576 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 1.5623 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6945 2.2539 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 3.5960 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5264 4.3676 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5332 5.7222 -0.3999 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 3.7147 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 4.4097 0.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 2.3314 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0054 -0.3031 0.8603 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3161 -1.5271 1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 -1.9385 1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9591 -3.2559 1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -3.6982 1.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -4.1376 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 -3.7083 1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -4.6056 1.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2846 -2.4032 1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8313 -0.7647 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7495 0.4761 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 2.7631 -2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9938 2.2582 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4006 2.6364 -3.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 -1.2314 -2.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5681 -0.5817 -1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4927 -1.9073 -0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0412 0.5505 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -1.6643 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 -2.4346 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6001 1.6653 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 4.1266 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 6.3459 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7745 5.3861 0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 1.9149 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 -1.2517 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7559 -3.6286 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 -5.1625 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 -5.5729 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 3 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 16 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 31 32 1 0 31 33 2 0 33 2 1 0 14 5 1 0 24 17 1 0 33 26 1 0 5 34 1 6 7 35 1 6 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 6 11 40 1 0 12 41 1 6 13 42 1 0 14 43 1 1 15 44 1 0 18 45 1 0 19 46 1 0 21 47 1 0 23 48 1 0 24 49 1 0 27 50 1 0 29 51 1 0 30 52 1 0 32 53 1 0 M END