HMDB0256929 RDKit 3D purpurogallin 24 25 0 0 0 0 0 0 0 0999 V2000 -1.4001 -2.3121 0.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 -1.0533 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6316 -0.4768 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7537 -1.2426 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 0.8159 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 1.9107 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 2.0012 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 0.9402 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 1.3633 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 0.4384 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 0.8187 -0.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 -0.9130 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 -1.8820 -0.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 -1.3155 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 -2.6594 -0.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1797 -0.3943 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7291 -2.1988 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9347 1.0805 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 2.8270 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 2.9633 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6483 2.4046 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0315 1.7976 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 -1.5893 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 -3.3242 -0.3285 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 3 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 1 0 10 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 2 0 16 2 1 0 16 8 1 0 4 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 9 21 1 0 11 22 1 0 13 23 1 0 15 24 1 0 M END