HMDB0004815 RDKit 3D 4-Hydroxy-3-methylbenzoic acid 19 19 0 0 0 0 0 0 0 0999 V2000 -2.2047 -1.4174 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 -0.4391 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.8255 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 0.0440 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6592 -0.4405 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8712 -1.6527 0.5332 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 0.4165 0.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 1.3924 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 1.8014 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 0.8978 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 1.3431 -0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -1.5444 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 -2.4083 0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 -1.0837 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -1.8686 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5828 0.1908 0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 2.0655 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4313 2.8560 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 0.6726 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 7 16 1 0 8 17 1 0 9 18 1 0 11 19 1 0 M END