HMDB0010328 RDKit 3D Tyramine glucuronide 41 42 0 0 0 0 0 0 0 0999 V2000 5.2995 1.9181 0.8707 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 0.7711 1.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9867 -0.4709 0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 -0.3263 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3914 0.2151 -0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 0.3428 -1.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 -0.0648 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2468 0.0753 -1.1518 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4851 -0.2482 -0.6441 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1965 -1.1593 -1.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4443 -1.4481 -0.8960 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4901 -1.4660 -1.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 -1.2339 -3.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8001 -1.7373 -1.6155 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8517 -0.6303 0.2800 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4381 -1.2655 1.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4722 0.7989 0.2703 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5213 1.6642 -0.0249 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3136 1.0279 -0.6347 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4761 2.0557 -0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 -0.6057 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 -0.7343 1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9268 1.7639 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 2.0547 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 0.6784 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 0.9131 2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 -0.6240 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0725 -1.3510 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 0.5336 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 0.7784 -2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4165 -0.6869 0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3733 -2.5182 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0701 -2.4578 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9804 -0.6776 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 -0.6029 2.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 1.0750 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2059 2.5947 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 1.2039 -1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 1.9503 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3947 -0.9493 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -1.1570 2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 11 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 21 1 0 21 22 2 0 22 4 1 0 19 9 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 6 30 1 0 9 31 1 1 11 32 1 1 14 33 1 0 15 34 1 1 16 35 1 0 17 36 1 1 18 37 1 0 19 38 1 6 20 39 1 0 21 40 1 0 22 41 1 0 M END