HMDB0001474 RDKit 3D 3,4-Dihydroxyphenylglycol O-sulfate 26 26 0 0 0 0 0 0 0 0999 V2000 5.5237 -0.2367 -0.3497 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 0.0393 0.4215 S 0 0 0 0 0 6 0 0 0 0 0 0 4.3210 -0.7075 1.7213 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2123 1.6925 0.7164 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 -0.4693 -0.5395 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.2919 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 0.8272 -0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3961 0.9350 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 -0.0263 0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 0.0969 0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8015 1.3701 1.2125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -0.1909 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7196 -0.1079 0.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 -1.1362 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9857 -1.2906 0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6581 -2.4252 0.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 2.1690 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4763 1.5791 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.7999 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7668 -0.6152 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 1.8132 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2871 0.5846 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 -1.1981 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0008 0.8309 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 -1.9109 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1906 -3.1310 1.4230 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 9 14 1 0 14 15 2 0 15 16 1 0 15 6 1 0 4 17 1 0 7 18 1 0 8 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 16 26 1 0 M END