HMDB0240718 RDKit 3D Propylparaben sulfate 28 28 0 0 0 0 0 0 0 0999 V2000 -5.3353 0.3805 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8936 -0.0723 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1248 0.4141 0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7621 0.0644 0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8856 0.4522 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 1.1626 -1.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 0.0556 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 -0.7221 0.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 -1.0865 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 -0.6947 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5339 -1.0659 -0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7913 -0.2130 0.5400 S 0 0 0 0 0 6 0 0 0 0 0 0 5.6191 1.2719 0.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -0.5521 -0.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9237 -0.7193 2.1355 O 0 0 0 0 0 1 0 0 0 0 0 0 2.7347 0.0818 -1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 0.4572 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9693 -0.5180 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4446 1.0967 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7396 0.8313 -1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 0.3773 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -1.1726 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 -0.0822 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2912 1.4945 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3611 -1.0361 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7582 -1.6983 1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3795 0.4094 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 1.0643 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 10 16 1 0 16 17 2 0 17 7 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 8 25 1 0 9 26 1 0 16 27 1 0 17 28 1 0 M CHG 1 15 -1 M END