HMDB0011635 RDKit 3D p-Cresol sulfate 20 20 0 0 0 0 0 0 0 0999 V2000 -3.3231 0.3918 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 0.0648 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 1.0067 0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2716 0.8065 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8073 -0.4300 0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -0.7440 0.7888 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 -0.3960 -0.4544 S 0 0 0 0 0 6 0 0 0 0 0 0 4.6665 -0.5662 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 -1.2579 -1.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 1.2075 -0.9311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 -1.4065 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3324 -1.1513 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 0.4928 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8546 -0.4069 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4242 1.3748 -0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 1.9892 0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9101 1.5643 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5996 1.7568 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 -2.3810 -0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 -1.9155 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 2 0 7 10 1 0 5 11 1 0 11 12 2 0 12 2 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 4 17 1 0 10 18 1 0 11 19 1 0 12 20 1 0 M END