HMDB0032575 RDKit 3D Butylparaben 28 28 0 0 0 0 0 0 0 0999 V2000 -4.8842 -0.3547 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9453 0.0158 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -0.2841 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 0.1362 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.0754 1.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4953 0.4704 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0317 1.2399 -0.7919 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 0.2196 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4799 -0.6276 0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8207 -0.9311 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 -0.3688 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9544 -0.7032 -0.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 0.4755 -1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 0.7944 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9804 0.5017 -1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6546 -1.3095 -1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9004 -0.4950 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1843 -0.4642 1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 1.1214 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3982 -1.3773 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1703 0.2143 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 1.1801 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0122 -0.4753 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8867 -1.0784 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 -1.6100 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 -0.3192 -0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6775 0.8969 -1.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 1.4504 -1.7903 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 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 8 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 9 24 1 0 10 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END