HMDB0061387 RDKit 3D Triclosan sulfate 28 29 0 0 0 0 0 0 0 0999 V2000 1.7842 -3.3465 -0.8187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8062 -2.2459 -0.7754 S 0 0 0 0 0 6 0 0 0 0 0 0 2.8729 -1.5111 -2.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -2.9126 -0.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 -1.1582 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 0.1431 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 1.1642 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4411 2.4350 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 3.7108 -0.3850 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 2.7138 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 1.6631 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 0.3872 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 -0.6927 0.2155 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 -0.5637 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2906 -1.2236 -0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6601 -1.1426 -0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 -0.3776 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0892 -0.2899 -0.2499 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 0.2815 0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3059 0.1986 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 1.0306 2.3915 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 -2.1983 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 0.9377 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 3.7238 -0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 1.8770 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 -1.8182 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1616 -1.6702 -1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 0.8846 1.6664 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 1 0 8 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 12 6 1 0 20 14 1 0 4 22 1 0 7 23 1 0 10 24 1 0 11 25 1 0 15 26 1 0 16 27 1 0 19 28 1 0 M END