HMDB0032018 RDKit 3D Phenyl salicylate 26 27 0 0 0 0 0 0 0 0999 V2000 -0.4431 -1.5818 0.8837 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 -0.6434 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 0.5220 0.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 0.6449 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 0.2561 -0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0062 0.3636 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5395 0.8632 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 1.2519 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3082 1.1454 1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -0.7363 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.8870 0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 -1.9670 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 -0.9069 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 0.2521 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3836 0.3159 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7132 1.4850 -0.6777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1816 -0.1283 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6622 0.0633 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6162 0.9342 0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1274 1.6343 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 1.4599 2.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 -2.7264 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 -2.9011 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -1.0422 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3365 1.0544 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 2.2742 -1.0653 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 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 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 9 4 1 0 15 10 1 0 5 17 1 0 6 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 16 26 1 0 M END