HMDB0033386 RDKit 3D 3-Phenylpropyl acetate 27 27 0 0 0 0 0 0 0 0999 V2000 4.7488 -0.4390 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.2672 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 0.3049 -1.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 -0.7024 0.4557 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 -0.5246 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 0.9046 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 1.0721 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 0.4727 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4427 1.1914 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 0.5846 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7811 -0.7441 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 -1.4768 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -0.8621 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3669 -1.1912 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 0.5542 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -0.6970 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 -0.9375 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 -1.1575 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 1.4866 0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4936 1.3910 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 2.1607 -1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 0.5790 -2.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 2.2230 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0105 1.1875 1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5783 -1.1772 1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 -2.5181 -0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -1.4176 -1.3367 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 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 5 17 1 0 5 18 1 0 6 19 1 0 6 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