HMDB0034315 RDKit 3D 3-(3,4-Dimethoxyphenyl)-2-propenoic acid 27 27 0 0 0 0 0 0 0 0999 V2000 -3.9634 -2.1313 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 -0.8642 0.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 -0.7067 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -1.8399 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1671 -1.7295 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8159 -0.4985 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 -0.4768 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0135 0.6068 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4794 0.5030 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0377 -0.6210 -0.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 1.6316 -0.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 0.6093 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 0.5381 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 1.6912 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5391 2.9604 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5946 -2.8208 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0516 -1.9811 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8045 -2.6498 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -2.8260 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -2.6497 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 -1.4366 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5103 1.5606 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1363 1.5842 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 1.5828 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1097 3.2357 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2682 3.7510 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7659 2.9771 -0.8515 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 6 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 8 22 1 0 11 23 1 0 12 24 1 0 15 25 1 0 15 26 1 0 15 27 1 0 M END