HMDB0015471 RDKit 3D Salsalate 29 30 0 0 0 0 0 0 0 0999 V2000 0.0889 -1.6983 0.5402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 -0.6040 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 0.1664 -0.6086 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 -0.1661 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 -0.8990 -1.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 -1.1992 -2.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3953 -0.7684 -1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 -0.0375 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 0.2605 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1196 1.0373 1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9793 1.4282 2.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 1.3622 1.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -0.2394 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 -1.0910 0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1065 -0.8230 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 0.3591 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 1.2217 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4683 0.9165 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 1.8689 -0.9433 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -1.2330 -2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8133 -1.7668 -2.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4341 -1.0274 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6455 0.3063 0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 1.5265 2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3623 -2.0076 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 -1.4627 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6863 0.5806 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2766 2.1274 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 1.8619 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 2 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 9 4 1 0 18 13 1 0 5 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 12 24 1 0 14 25 1 0 15 26 1 0 16 27 1 0 17 28 1 0 19 29 1 0 M END