HMDB0000735 RDKit 3D Hydroxyphenylacetylglycine 26 26 0 0 0 0 0 0 0 0999 V2000 4.9052 -0.1488 1.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4829 0.1758 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9902 1.4265 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 -0.5155 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2067 0.0370 -0.8448 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2936 0.3334 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 0.0484 1.3551 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 1.0229 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2231 0.4098 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 -0.9043 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 -1.3625 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8903 -0.4716 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1435 -0.9661 0.8449 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 0.8542 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 1.2794 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3383 2.2400 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -0.5870 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4323 -1.5811 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8199 0.2495 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 1.2978 -1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 2.0069 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 -1.6115 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 -2.4032 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6842 -1.3385 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 1.5684 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 2.3404 0.0742 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 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 9 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 8 20 1 0 8 21 1 0 10 22 1 0 11 23 1 0 13 24 1 0 14 25 1 0 15 26 1 0 M END