HMDB0060557 RDKit 3D beta-(2-Methoxyphenoxy)-lactic acid 27 27 0 0 0 0 0 0 0 0999 V2000 -2.2798 2.7785 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 1.7829 0.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 0.4810 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8648 0.1390 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -1.1592 -0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1869 -2.1170 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 -1.7466 -0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 -0.4466 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 -0.0980 0.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 -1.0685 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 -0.4038 0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 -1.3220 0.5341 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 0.6877 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 0.7008 -1.1262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4015 1.7034 -0.5283 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 3.7265 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 2.5280 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 2.8890 -0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6307 0.9102 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2113 -1.4273 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 -3.1237 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0981 -2.4793 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 -1.8200 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8554 -1.5758 -0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 0.0248 1.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 -2.2236 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6902 2.6595 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 8 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 15 27 1 0 M END