HMDB0242191 RDKit 3D Propyl paraben sulfate 29 29 0 0 0 0 0 0 0 0999 V2000 -5.5036 0.1624 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0862 -0.1704 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2221 -0.0464 1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8681 -0.3332 0.8791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 0.3551 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 1.3026 -0.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3141 0.0465 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9659 -0.9846 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 -1.2798 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0046 -0.5195 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3173 -0.8176 -1.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6221 -0.1527 -0.1787 S 0 0 0 0 0 6 0 0 0 0 0 0 5.8854 -0.9391 1.0696 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 -0.2081 -1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3827 1.4543 0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 0.5148 -1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 0.7728 -1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1501 0.3965 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9049 -0.6780 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4441 1.0845 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8078 0.5397 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -1.2177 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5807 -0.8339 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4003 0.9330 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -1.5550 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 -2.1030 0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 1.5831 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9482 1.1010 -2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 1.5927 -1.7248 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 15 27 1 0 16 28 1 0 17 29 1 0 M END