HMDB0033376 RDKit 3D Phenylmethyl butanoate 27 27 0 0 0 0 0 0 0 0999 V2000 3.0810 1.1025 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -0.3375 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 -1.0841 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1483 -1.1068 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 -0.5327 1.0878 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 -1.7193 -0.6063 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2246 -1.7984 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9169 -0.5295 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9769 0.0319 1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6396 1.2502 1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2284 1.8844 0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1779 1.3408 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 0.1215 -0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 1.7876 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 1.3165 1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0489 1.2610 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 -0.8402 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4653 -0.3350 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -2.1039 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 -0.5750 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 -2.4671 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -2.4246 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 -0.3972 2.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 1.7090 2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 2.8298 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 1.8621 -1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 -0.2460 -2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 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 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END