HMDB0011743 RDKit 3D 2-Phenylpropionate 21 21 0 0 0 0 0 0 0 0999 V2000 -1.8679 -1.3693 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 0.0461 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9438 0.9724 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 0.5243 1.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 2.3190 0.6611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -0.0184 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -0.4015 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -0.4380 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -0.1112 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 0.2729 -1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 0.3087 -1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 -2.1049 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4342 -1.4182 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -1.5933 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 0.3758 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 3.0252 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 -0.6537 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 -0.7341 2.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0154 -0.1458 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 0.5380 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5034 0.6060 -2.1792 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 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 5 16 1 0 7 17 1 0 8 18 1 0 9 19 1 0 10 20 1 0 11 21 1 0 M END