HMDB0062175 RDKit 3D N-Lactoylphenylalanine 32 32 0 0 0 0 0 0 0 0999 V2000 -4.2847 1.8126 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0236 0.3168 0.0893 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0741 -0.2904 1.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 0.2090 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4067 0.7120 -1.5512 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 -0.4355 0.3506 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -0.5395 -0.1573 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6074 0.1946 0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 0.1985 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5321 1.1921 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 1.2462 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7267 0.2656 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 -0.7261 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8585 -0.7776 0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0751 -1.9705 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 -2.8333 0.1561 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -2.3711 -0.6877 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3485 2.2119 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1688 1.9888 0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3584 2.2539 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7664 -0.1082 -0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9098 -1.2514 1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 -0.8326 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -0.0538 -1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -0.3334 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 1.2154 0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 1.9796 -0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 2.0218 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7939 0.2911 -0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 -1.5000 1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5256 -1.6013 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 -2.4853 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 15 17 1 0 14 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 6 3 22 1 0 6 23 1 0 7 24 1 6 8 25 1 0 8 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 17 32 1 0 M END