HMDB0030254 RDKit 3D 3-(3,4,5-Trimethoxyphenyl)propanoic acid 33 33 0 0 0 0 0 0 0 0999 V2000 -0.2982 3.8439 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 2.7372 0.1223 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 1.4504 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 1.1045 -0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 -0.1850 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -0.5739 -1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -1.1613 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 -0.3088 1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 0.8400 1.3074 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 -0.8624 2.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1267 -1.1433 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 -0.8589 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -1.7700 -0.4592 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3217 -3.1428 -0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 0.4574 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 0.8002 0.1337 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4406 0.7499 1.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 3.7724 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 4.7448 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1423 4.0525 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 1.9142 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 0.3205 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 -1.2926 -1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 -1.3122 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6769 -2.1778 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6862 -1.5896 2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -2.1680 -1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 -3.5843 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 -3.3331 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 -3.6104 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 0.6249 2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8981 1.7407 1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1722 -0.0791 1.6675 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 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 16 17 1 0 15 3 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 10 26 1 0 11 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 17 31 1 0 17 32 1 0 17 33 1 0 M END