HMDB0036905 RDKit 3D 2-Propenyl phenylacetate 25 25 0 0 0 0 0 0 0 0999 V2000 4.1159 1.2947 0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 0.3282 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.7819 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 0.2051 -0.4043 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 -1.1527 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8051 -1.9315 -0.8334 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 -1.7211 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5169 -0.8173 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6453 0.2577 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7324 1.0733 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6394 0.8724 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 -0.1933 -1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 -1.0496 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 2.3402 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 1.0409 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -0.6874 0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 1.8702 -0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 0.5647 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2758 -1.9852 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 -2.6901 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 0.3567 1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8423 1.9032 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 1.5382 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 -0.3430 -2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 -1.8562 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 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 2 16 1 0 3 17 1 0 3 18 1 0 7 19 1 0 7 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END