HMDB0000873 RDKit 3D 4-Methylcatechol 17 17 0 0 0 0 0 0 0 0999 V2000 2.5524 -0.0888 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0456 -0.1512 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 -1.3767 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9441 -1.3862 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -0.2169 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0612 -0.2395 0.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 0.9980 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 2.1753 -0.2701 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 1.0199 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 0.4194 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 -1.0895 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 0.5875 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 -2.2641 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 -2.3327 0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5547 -1.1052 0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3229 3.0619 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 1.9890 -0.2634 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 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 9 2 1 0 1 10 1 0 1 11 1 0 1 12 1 0 3 13 1 0 4 14 1 0 6 15 1 0 8 16 1 0 9 17 1 0 M END