HMDB0012225 RDKit 3D Enol-phenylpyruvate 20 20 0 0 0 0 0 0 0 0999 V2000 3.7594 -0.1276 -0.5606 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1703 0.5829 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.4371 1.0633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 0.5276 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 1.3166 1.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0265 -0.2800 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 -0.3447 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 0.7211 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6336 0.5612 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1919 -0.6911 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3296 -1.7826 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9746 -1.6098 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8407 1.1970 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 2.3157 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5082 -0.9229 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 1.7102 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2886 1.4362 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 -0.7810 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7673 -2.7560 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -2.5099 -0.1106 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 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 3 13 1 0 5 14 1 0 6 15 1 0 8 16 1 0 9 17 1 0 10 18 1 0 11 19 1 0 12 20 1 0 M END