HMDB0040733 RDKit 3D Phenyl acetate 18 18 0 0 0 0 0 0 0 0999 V2000 3.4927 0.6220 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 0.2988 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 -0.1015 -1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 0.4290 0.6353 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 0.1343 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1661 1.0433 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 0.6659 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 -0.6258 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -1.5239 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -1.1624 0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 1.7040 -0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 0.3719 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1716 0.0818 -0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8412 2.0539 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 1.3862 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9729 -0.9036 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 -2.5515 0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.9223 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 1 11 1 0 1 12 1 0 1 13 1 0 6 14 1 0 7 15 1 0 8 16 1 0 9 17 1 0 10 18 1 0 M END