HMDB0240436 RDKit 3D Catechin 7-sulfate 39 41 0 0 0 0 0 0 0 0999 V2000 6.7957 0.5628 -0.2216 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 0.9124 -1.1695 S 0 0 0 0 0 6 0 0 0 0 0 0 6.3143 1.3138 -2.4704 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8832 2.2486 -0.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -0.3723 -1.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 -0.6028 -0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -1.3943 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5227 -1.6647 1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 -2.4703 2.4391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3067 -1.0979 1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -0.2817 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -0.0536 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0962 0.2286 -0.3501 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6873 -0.2657 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4790 0.0650 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 -0.2922 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8048 0.4687 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 1.6532 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9512 2.4575 -0.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 2.0377 -1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6759 3.2532 -1.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 1.2858 -1.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 -1.5244 0.9527 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1465 -2.8981 0.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1092 -1.2716 1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5007 2.9962 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5348 -1.8497 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9059 -2.6630 3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.5788 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 -1.3515 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6805 -1.2513 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7046 0.1406 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9541 3.3321 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8299 3.5583 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5969 1.6076 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 -1.3348 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 -3.3957 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 -1.9883 2.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 -0.2556 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 2 0 14 23 1 0 23 24 1 0 23 25 1 0 12 6 1 0 22 15 1 0 25 10 1 0 4 26 1 0 7 27 1 0 9 28 1 0 12 29 1 0 14 30 1 6 16 31 1 0 17 32 1 0 19 33 1 0 21 34 1 0 22 35 1 0 23 36 1 1 24 37 1 0 25 38 1 0 25 39 1 0 M END