HMDB0036388 RDKit 3D 3-Phenylpropyl propanoate 30 30 0 0 0 0 0 0 0 0999 V2000 4.7773 0.3137 1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3938 0.9709 1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5397 0.0771 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 -0.9746 1.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 0.3495 -0.7654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4424 -0.4417 -1.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.6373 -1.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 0.6656 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 0.3622 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.1215 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 -0.1604 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -0.2115 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6468 0.0196 1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3818 0.3006 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9544 -0.1802 2.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8785 -0.4751 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 1.0695 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 1.9487 0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 1.0570 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 0.0804 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8679 -1.4380 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5052 -1.2460 -1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 -1.2187 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 1.3949 -0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8235 1.0944 -1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9298 0.1562 -2.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 -0.3502 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6464 -0.4331 0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 -0.0106 2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 0.4821 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END