HMDB0060735 RDKit 3D 3-(3,4-Dihydroxyphenyl)-2-methylpropionic acid 26 26 0 0 0 0 0 0 0 0999 V2000 -1.8220 -0.8047 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9367 -0.3164 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 0.7444 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 0.3032 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -0.2370 -1.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 -0.6449 -1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 -0.4971 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3585 -0.9190 0.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 0.0382 1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 0.1797 2.2937 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 0.4424 0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 0.3150 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1527 -0.0874 -1.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 1.3956 0.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 -1.6709 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0733 0.0177 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8136 -1.1703 1.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 -1.1616 -1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 1.0734 -1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1536 1.6151 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 -0.3119 -2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -1.0628 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8128 -0.8378 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3945 0.5672 3.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 0.8643 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1863 2.1655 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 2 0 2 12 1 0 12 13 2 0 12 14 1 0 11 4 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 14 26 1 0 M END