HMDB0094725 RDKit 3D 4-hydroxyphenylpropionylglycine 29 29 0 0 0 0 0 0 0 0999 V2000 4.5811 0.3902 1.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9696 0.7349 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 0.7722 0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 1.0918 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 0.9949 0.1996 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 -0.0186 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -1.1458 -0.5767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4857 -0.0272 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 -0.2563 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 -0.2841 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6284 0.8566 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9633 0.7686 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 -0.4468 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8848 -0.4908 0.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -1.5896 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4274 -1.5028 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 1.5863 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 2.1237 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1056 0.4099 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -1.2221 -1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 0.9082 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3287 -0.9113 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1151 -1.2261 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 0.5619 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 1.8293 -0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5425 1.6913 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5306 -0.6505 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2388 -2.5170 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 -2.4309 0.1238 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 2 3 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 10 1 0 3 17 1 0 4 18 1 0 4 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 M END