HMDB0125533 RDKit 3D 3,5-Dihydroxyphenylpropionic acid 23 23 0 0 0 0 0 0 0 0999 V2000 3.8030 0.1281 1.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -0.1163 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -0.3443 -0.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 -0.1611 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 0.1166 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 0.0979 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8859 -1.0917 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -1.1620 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 -2.3515 0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 -0.0381 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 1.1686 -0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 2.3211 -0.7511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9009 1.2098 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 -0.0544 -1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -1.2057 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9906 0.5865 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -0.6096 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4818 1.1517 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -1.9956 0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -2.5790 1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -0.0758 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 2.8732 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 2.1318 -0.0924 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 6 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 7 19 1 0 9 20 1 0 10 21 1 0 12 22 1 0 13 23 1 0 M END