HMDB0003501 RDKit 3D cis-Caffeic acid 21 21 0 0 0 0 0 0 0 0999 V2000 -1.7190 1.8108 0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6277 1.0116 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8012 1.5552 1.5963 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 -0.3950 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 -1.0672 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -0.6116 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -1.2367 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 -0.9788 -1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 -0.0969 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.1566 -1.3161 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 0.5286 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 1.4155 0.9299 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 0.2469 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 2.0980 2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.9837 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 -2.1762 0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3307 -1.9397 -1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -1.4650 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 -0.2654 -2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4849 1.6720 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 0.7211 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 13 6 1 0 3 14 1 0 4 15 1 0 5 16 1 0 7 17 1 0 8 18 1 0 10 19 1 0 12 20 1 0 13 21 1 0 M END