HMDB0041770 RDKit 3D Quercetin 3'-sulfate 36 38 0 0 0 0 0 0 0 0999 V2000 3.6714 -1.9253 -1.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -1.1741 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -1.3715 -1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1686 -2.3813 -2.0629 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -0.6102 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 -0.7263 -1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -1.6463 -1.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 -1.6768 -2.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7671 -0.7972 -1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1312 -0.8407 -1.7355 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2109 0.1310 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 1.0411 -0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 0.7254 1.4979 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.1259 -0.5436 2.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2414 0.5713 1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4644 1.9983 2.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8717 0.1869 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 0.3402 0.1453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 0.5755 0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 1.5977 1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 1.8603 1.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7925 2.9082 2.7371 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6303 1.1311 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3789 0.0823 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 -0.6282 0.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -0.1685 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -3.0160 -2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8904 -2.3600 -2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2593 -2.4325 -2.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7194 -0.1670 -1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5573 2.3383 2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 0.9427 0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 2.2202 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9809 3.8530 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6357 1.3317 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 -1.3698 -0.5519 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 3 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 11 17 2 0 5 18 1 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 24 25 1 0 24 26 2 0 26 2 1 0 17 6 1 0 26 19 1 0 4 27 1 0 7 28 1 0 8 29 1 0 10 30 1 0 16 31 1 0 17 32 1 0 20 33 1 0 22 34 1 0 23 35 1 0 25 36 1 0 M END