HMDB0039428 RDKit 3D 2-Methoxy-3-(4-methoxyphenyl)propanoic acid 29 29 0 0 0 0 0 0 0 0999 V2000 4.6146 -1.1781 1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 -0.8890 1.8072 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 -0.3370 1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1567 0.0210 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 0.5666 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 0.7814 0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 1.3678 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2986 0.3687 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 -0.4274 -1.7529 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7374 -1.7699 -1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5079 1.1153 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9663 0.9815 -2.2842 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1199 1.9519 -0.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.4265 1.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2234 -0.1268 2.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 -2.2140 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -0.5176 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 -1.0048 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -0.1374 -0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 0.8349 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8305 1.9298 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 2.1368 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 -0.3254 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -2.2922 -2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 -1.9556 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7324 -2.1885 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7753 2.6796 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 0.5827 2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -0.3811 3.1697 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 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 2 0 11 13 1 0 6 14 1 0 14 15 2 0 15 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 7 22 1 0 8 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 13 27 1 0 14 28 1 0 15 29 1 0 M END