HMDB0041661 RDKit 3D 3,4-Dihydroxyphenyllactic acid methyl ester 27 27 0 0 0 0 0 0 0 0999 V2000 4.8318 0.3950 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.3462 -0.3741 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -0.8188 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3464 -1.8073 0.2945 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 -0.8840 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.1684 -0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5885 0.1689 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 0.2300 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -0.5243 1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0758 -0.4633 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6383 0.3596 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0155 0.4427 0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 1.1149 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3881 1.9436 -1.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4312 1.0554 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9612 0.7941 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1853 -0.6720 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 0.9774 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9525 -0.6860 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8714 -2.8006 -0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 0.0051 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0554 1.1430 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2815 -1.1753 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7292 -1.0385 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6013 -0.1105 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8007 2.5081 -2.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 1.6649 -1.2188 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 2 0 15 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 14 26 1 0 15 27 1 0 M END