HMDB0001470 RDKit 3D Tiglic acid 15 14 0 0 0 0 0 0 0 0999 V2000 -1.9830 -0.5252 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 -1.0219 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.1004 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 1.3321 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -0.5405 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 -1.7782 0.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6934 0.4237 0.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -1.4254 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 0.1618 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 -0.1207 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 -2.0914 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9277 1.8996 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 1.6808 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7033 1.6067 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 0.4991 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 4 12 1 0 4 13 1 0 4 14 1 0 7 15 1 0 M END