22167491 CDK 0910211425 18 18 0 0 0 0 0 0 0 0999 V2000 4.5079 0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 2.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.3159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 3 11 2 0 0 0 0 4 10 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 18 2 0 0 0 0 16 18 1 0 0 0 0 M END > CHEBI:180382 > N-lactoyl-Tyrosine > 2 > 3-(4-hydroxyphenyl)-2-(2-hydroxypropanoylamino)propanoic acid > C12H15NO5 > 253.254 > 253.09502 > 0 > OC(=O)C(NC(=O)C(O)C)CC1=CC=C(O)C=C1 > InChI=1S/C12H15NO5/c1-7(14)11(16)13-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,14-15H,6H2,1H3,(H,13,16)(H,17,18) > XBOGARDIMVJTKF-UHFFFAOYSA-N $$$$