HMDB0240468 RDKit 3D 4'-Methylepicatechin 5-sulfate 42 44 0 0 0 0 0 0 0 0999 V2000 6.0031 -2.4684 -0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 -2.3927 0.2717 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8034 -2.1208 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 -1.8900 -0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -1.6212 -0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0177 -1.5688 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 -1.2850 0.2155 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6958 -0.3956 1.2715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5661 0.6794 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 1.6644 2.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 2.7315 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4258 3.7261 3.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2969 2.8221 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3058 1.8377 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 1.9026 -0.9839 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7571 2.6988 -2.4391 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.1760 4.1244 -2.3081 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4818 2.1013 -3.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1007 2.5456 -2.6511 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 0.7684 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 -0.2960 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 -0.6807 -1.0447 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2038 0.3644 -1.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6817 -1.7979 1.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 -2.0657 1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 -2.3014 2.5697 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6716 -1.8709 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0683 -2.2833 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 -3.5522 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -1.9156 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 -1.4389 -1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 -2.2106 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 1.5578 3.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 3.6998 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9695 3.6487 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 3.3340 -3.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8741 0.0385 -1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9484 -1.2145 -0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9518 -1.4733 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 0.6366 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 -1.7679 2.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2197 -2.2709 3.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 14 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 6 24 1 0 24 25 2 0 25 26 1 0 25 3 1 0 22 7 1 0 20 9 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 7 32 1 1 10 33 1 0 12 34 1 0 13 35 1 0 19 36 1 0 21 37 1 0 21 38 1 0 22 39 1 6 23 40 1 0 24 41 1 0 26 42 1 0 M END