HMDB0254894 RDKit 3D Phenanthrene-3,4-diol 26 28 0 0 0 0 0 0 0 0999 V2000 3.5396 -1.9389 -0.2411 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -0.8477 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 0.3618 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 1.4187 0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 1.2371 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 2.2899 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 2.1513 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7429 0.9222 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 0.7886 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6559 -0.4138 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8159 -1.5074 -0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 -1.3898 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9019 -0.1795 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4684 -0.0056 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -1.0617 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 -2.3079 -0.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 -1.9134 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 0.4638 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7586 2.4047 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 3.2649 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 3.0002 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 1.6358 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 -0.5523 -0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 -2.4526 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 -2.2558 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -3.1127 -0.6843 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 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 2 1 0 14 5 1 0 13 8 1 0 1 17 1 0 3 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 16 26 1 0 M END