HMDB0000559 RDKit 3D 3-Methoxy-4-hydroxyphenylethyleneglycol sulfate 29 29 0 0 0 0 0 0 0 0999 V2000 1.4413 -2.5822 -1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 -1.2846 -1.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.4782 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 -0.9769 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 -0.1485 0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -0.6504 0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 -0.3201 2.1623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 0.0049 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4915 1.3886 0.0536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 1.1249 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 1.6014 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 0.7813 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 1.2070 -0.5362 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 0.9895 0.4458 S 0 0 0 0 0 6 0 0 0 0 0 0 4.4312 -0.3921 0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 1.1740 1.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 2.1235 -0.0415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 -2.9131 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 -3.3293 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -2.5907 -2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7111 -1.9893 -0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 -1.7397 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3481 0.5525 2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3574 -0.2563 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6065 -0.3238 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 1.8253 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 1.7864 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 2.5899 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 2.8259 -0.6195 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 1 0 6 7 1 0 6 8 1 0 8 9 1 0 5 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 12 3 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 17 29 1 0 M END