HMDB0032574 RDKit 3D Propylparaben 25 25 0 0 0 0 0 0 0 0999 V2000 4.5703 0.4377 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 0.5265 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 0.1866 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 0.2272 0.8593 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2206 -0.5491 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -1.3509 -0.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -0.4162 -0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 -1.1767 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 -1.0347 -1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 -0.1277 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4195 -0.0345 -0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2966 0.6314 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 0.4715 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 -0.0549 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1376 -0.1275 -0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9249 1.5048 0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8215 1.4911 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 -0.2908 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 0.9667 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 -0.7884 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 -1.8809 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9422 -1.6286 -1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8234 0.6144 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8406 1.3290 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 1.0740 1.3704 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 10 12 1 0 12 13 2 0 13 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 8 21 1 0 9 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END