KEGG:C03198 (S)-4-Hydroxymandelate ISISHOST03240423082D 1 1.00000 0.00000 2817 12 12 0 1 0 999 V2000 0.6517 0.5655 0.0000 C 0 0 1 0 0 0 0 0 0 0.0034 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 1.3035 0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0.6517 1.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0.0034 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6552 0.5655 0.0000 C 0 0 0 0 0 0 0 0 0 1.3035 -0.5586 0.0000 O 0 0 0 0 0 0 0 0 0 1.9517 0.5724 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6552 -0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3035 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3035 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9552 -0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 6 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 9 11 2 0 0 0 11 12 1 0 0 0 10 11 1 0 0 0 M END