HMDB0040287 RDKit 3D 1-Phenylethyl propanoate 27 27 0 0 0 0 0 0 0 0999 V2000 -4.3487 0.5644 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 -0.0806 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -0.0990 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 0.3586 -1.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8052 -0.6298 0.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1524 -0.6508 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -2.1209 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 0.0378 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -0.1577 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 0.5097 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 1.3667 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 1.5676 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 0.8937 -1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 1.6423 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2121 0.3762 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 0.1153 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 -1.1576 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7132 0.4125 2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 -0.2021 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 -2.3836 -2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -2.7959 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -2.3222 -0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 -0.8435 1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6502 0.3649 2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 1.8979 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 2.2477 -1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5324 1.0885 -2.2511 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 6 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 2 17 1 0 2 18 1 0 6 19 1 0 7 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