HMDB0304400 RDKit 3D L-arogenate 28 28 0 0 0 0 0 0 0 0999 V2000 2.0177 0.4252 1.2861 N 0 0 0 0 0 4 0 0 0 0 0 0 2.0287 0.0105 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -0.3765 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 0.6449 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 1.8565 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6099 2.2656 -2.4876 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 2.5958 -1.0798 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.5185 0.0021 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5056 -0.6103 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -0.6999 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -1.9249 1.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 0.4166 1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 1.0286 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -1.1614 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.3001 -0.4097 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 -1.0410 0.0017 O 0 0 0 0 0 1 0 0 0 0 0 0 2.0676 1.4604 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 0.0728 1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 0.0754 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5514 0.8050 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 -1.2486 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8817 -0.7883 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 0.0795 -2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3077 -1.0505 -1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5943 -0.5737 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8097 -2.5346 1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0425 0.7225 2.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 1.8484 1.1683 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 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 2 14 1 0 14 15 2 0 14 16 1 0 13 4 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 M CHG 3 1 1 7 -1 16 -1 M END