HMDB0094726 RDKit 3D 5-hydroxyphenylpropionylglycine 29 29 0 0 0 0 0 0 0 0999 V2000 5.9928 -0.9001 -1.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -0.7838 -1.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 -0.0465 -2.4482 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8838 -1.4348 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 -1.2228 -0.6459 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6337 -1.1536 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -1.2844 1.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1861 -0.9345 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 0.3550 0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 0.5578 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6156 -0.0008 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9556 0.1771 1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 0.8849 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 1.4385 -0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8921 2.1577 -2.1082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 1.2667 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4541 0.9660 -2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -2.5372 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1039 -0.9494 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3781 -0.4791 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 -1.7964 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -0.8446 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 0.2976 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 1.1804 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 -0.5474 2.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6575 -0.2566 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4149 1.0324 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0339 3.1719 -2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3939 1.6860 -1.3942 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 1 0 14 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 13 27 1 0 15 28 1 0 16 29 1 0 M END