HMDB0031618 RDKit 3D Ethyl 4-phenylbutanoate 30 30 0 0 0 0 0 0 0 0999 V2000 4.9479 1.1772 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 -0.1860 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 -0.8752 0.0081 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3588 -0.4126 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 0.6761 0.7649 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -1.1517 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 -0.3982 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -1.1397 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5478 -0.3755 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 0.5516 -1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1468 1.2799 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 1.0808 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3592 0.1617 1.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2166 -0.5657 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0366 1.4321 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6822 1.1863 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 1.9431 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 -0.1648 1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6868 -0.7803 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -2.1493 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 -1.2978 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -0.2009 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 0.5863 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 -2.1369 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 -1.3097 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 0.6930 -1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4902 1.9895 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 1.6419 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9027 0.0178 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 -1.2731 1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 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