HMDB0259078 RDKit 3D Tibric acid 39 40 0 0 0 0 0 0 0 0999 V2000 -3.5921 2.4307 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 1.3047 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -0.0558 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6752 -0.8936 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -2.3308 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 -0.8174 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 0.5126 0.3233 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 0.9712 1.4075 S 0 0 0 0 0 6 0 0 0 0 0 0 0.9218 2.4179 1.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 0.9939 2.8492 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0047 0.0284 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 -1.1927 1.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3428 -1.9000 1.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3631 -1.3879 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8398 -2.3089 0.5974 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 -0.1559 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2797 0.4059 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8329 1.4654 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6874 -0.1297 -1.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 0.5028 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 1.5166 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 2.9859 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6222 2.0785 -0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4103 3.1816 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 1.2636 -1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 -0.6059 -1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 0.1346 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0742 -0.5465 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 -2.9285 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7585 -2.7853 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 -2.3240 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 -1.5375 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -1.1910 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -1.6203 2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -2.8749 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 0.0832 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.4667 -0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 1.3467 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2341 2.4957 0.3116 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 2 0 7 21 1 0 21 2 1 0 20 11 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 12 34 1 0 13 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 21 39 1 0 M END