KEGG:C05580 3,4-Dihydroxymandelate ISISHOST03240423122D 1 1.00000 0.00000 4724 13 13 0 0 0 999 V2000 0.2414 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4862 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4448 1.2828 0.0000 C 0 0 0 0 0 0 0 0 0 1.6586 0.0483 0.0000 C 0 0 3 0 0 0 0 0 0 -1.9000 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8586 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 3.0724 0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 1.6517 1.4655 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5862 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9069 -2.1483 0.0000 O 0 0 0 0 0 0 0 0 0 3.7828 -1.1759 0.0000 O 0 0 0 0 0 0 0 0 0 3.7828 1.2759 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0069 0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 7 11 1 0 0 0 7 12 2 0 0 0 9 13 1 0 0 0 6 9 2 0 0 0 M END