KEGG:C02887 Sinapoyl-(S)-malate ISISHOST03240423072D 1 1.00000 0.00000 2551 24 24 0 1 0 999 V2000 -0.1138 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7828 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1310 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0.5207 -0.7379 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4414 -0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7862 -1.4862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7897 0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0.5172 0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 1.1724 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4414 0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4379 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0.5138 1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 1.8207 -0.7379 0.0000 C 0 0 2 0 0 0 0 0 0 1.1724 -1.8655 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0931 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 2.4690 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 1.8207 0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0966 1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 3.1207 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7483 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 3.7690 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 3.1207 0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3966 1.5069 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7483 2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 8 12 1 0 0 0 9 13 1 0 0 0 9 14 2 0 0 0 10 15 1 0 0 0 13 16 1 0 0 0 13 17 1 1 0 0 15 18 2 0 0 0 16 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 19 22 2 0 0 0 20 23 1 0 0 0 20 24 2 0 0 0 7 10 1 0 0 0 M END