HMDB0094727 RDKit 3D 6-hydroxyphenylpropionylglycine 29 29 0 0 0 0 0 0 0 0999 V2000 3.6543 0.6564 -2.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 0.0977 -1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 0.3892 -1.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 -0.7955 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 -0.8699 -0.4417 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 0.1476 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1778 1.4372 -0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 -0.0344 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4608 0.4329 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9147 0.2655 0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -0.7613 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9459 -0.9251 1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7043 -0.0375 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0395 0.9788 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 1.1354 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0502 2.1813 -0.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 0.2904 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3187 -1.8315 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -0.5183 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 1.7048 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 -1.0826 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 0.6255 -1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 1.5101 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 -0.1223 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 -1.4627 1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4831 -1.7134 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7758 -0.1437 0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5934 1.6966 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 2.8400 -1.2905 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 14 15 2 0 15 16 1 0 15 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 13 27 1 0 14 28 1 0 16 29 1 0 M END