HMDB0240731 RDKit 3D Adipoylglycine 27 26 0 0 0 0 0 0 0 0999 V2000 -4.8493 0.8720 -0.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5692 0.4513 -1.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6115 0.3576 -2.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 0.0825 -1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 0.2989 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 -0.0551 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0136 0.1833 0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -0.1547 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7552 -0.5794 -0.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -0.0186 1.1967 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7449 -0.3529 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6262 -0.1416 2.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 0.2945 3.1713 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9843 -0.4113 2.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4855 -0.0952 -2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8618 0.7150 -2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 -0.9877 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6656 -0.3208 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3825 1.3884 -0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 0.4536 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8004 -1.1478 -1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1611 1.2412 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3864 -0.4324 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1043 0.3332 2.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 0.2995 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 -1.3938 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6366 0.1405 2.5952 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 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 14 27 1 0 M END