HMDB0035017 RDKit 3D 2-Phenylethyl 3-methylbutanoate 33 33 0 0 0 0 0 0 0 0999 V2000 4.3434 0.5426 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1223 0.3019 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 -1.1563 0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 0.8929 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 0.3332 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7394 -0.5310 -0.5027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 0.7908 0.7394 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7397 0.2620 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 0.8755 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 0.2315 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 0.7692 -1.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 0.1878 -2.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2237 -0.9643 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7565 -1.4916 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 -0.9234 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 0.3551 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0953 1.5833 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 -0.1955 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 0.8351 1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2203 -1.3917 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 -1.7832 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -1.4500 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 1.9872 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 0.6509 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 0.4263 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -0.8256 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 0.5943 1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 1.9615 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1127 1.6812 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9639 0.6265 -3.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0307 -1.4114 -2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2437 -2.4023 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 -1.3623 1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 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 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END