HMDB0240539 RDKit 3D Kaempferol 3-sulfate 35 37 0 0 0 0 0 0 0 0999 V2000 -2.1730 2.3249 0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 1.2998 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2569 1.1170 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 2.1050 0.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 2.0409 2.6844 S 0 0 0 0 0 6 0 0 0 0 0 0 0.8384 0.6352 3.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 2.6021 3.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 2.9895 3.1465 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 0.0194 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -0.2731 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 0.6543 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0422 0.3001 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -0.9641 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8197 -1.3448 0.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -1.8747 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 -1.5528 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 -0.8933 -0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6413 -0.7846 -1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 -1.7276 -1.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 -1.5829 -1.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -2.5286 -2.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3861 -0.4658 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 0.4850 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3122 1.6308 -0.2622 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 0.3404 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 3.6732 2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 1.6775 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 1.0508 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -1.2593 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 -2.8938 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -2.3303 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 -2.5996 -2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 -3.2930 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 -0.3244 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3068 1.7467 -0.4008 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 2 0 5 7 2 0 5 8 1 0 3 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 9 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 2 1 0 16 10 1 0 25 18 1 0 8 26 1 0 11 27 1 0 12 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 19 32 1 0 21 33 1 0 22 34 1 0 24 35 1 0 M END