HMDB0032620 RDKit 3D 1-Phenylethyl acetate 24 24 0 0 0 0 0 0 0 0999 V2000 3.7169 1.1785 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 0.5436 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 0.5599 -1.8649 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 -0.0937 0.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -0.6842 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 -2.1814 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 -0.1522 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 0.1711 -0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 0.6724 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3165 0.8577 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 0.5312 1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1174 0.0294 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 2.2781 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6396 0.9820 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8638 0.7927 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 -0.5670 -1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 -2.6629 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -2.4852 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 -2.4347 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 0.0374 -2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7848 0.9166 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 1.2508 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 0.6860 2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2258 2.0585 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 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END