HMDB0029217 RDKit 3D Tyrosine methylester 27 27 0 0 0 0 0 0 0 0999 V2000 4.7009 -0.0804 0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 0.2105 0.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 -0.2642 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 -0.9684 -1.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1155 0.0490 -0.4658 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6424 -0.5934 -1.6775 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3243 -0.4463 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1075 -0.1070 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 1.0846 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 1.4002 0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7855 0.5219 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1021 0.9119 0.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 -0.6668 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9808 -0.9691 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 0.6924 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 -0.0059 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9481 -1.1134 0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 1.1568 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 -1.5244 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 0.0253 -2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -1.5615 0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 -0.0883 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 1.8096 1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2999 2.3518 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4639 1.4256 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0094 -1.3433 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 -1.9073 -0.4672 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 2 0 14 8 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 6 6 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 13 26 1 0 14 27 1 0 M END