KEGG:C04275 1,2-Bis-O-sinapoyl-beta-D-glucoside ISISHOST03240423102D 1 1.00000 0.00000 3706 42 44 0 1 0 999 V2000 -1.1138 0.0103 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1138 0.7690 0.0000 C 0 0 1 0 0 0 0 0 0 -1.7724 -0.3724 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4655 -0.3621 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7724 1.1448 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4655 1.1483 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4207 0.0103 0.0000 C 0 0 1 0 0 0 0 0 0 -1.7724 -1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0.1862 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4207 0.7690 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4690 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0724 -0.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0.1862 -1.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0.8345 -0.3586 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0690 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0.1828 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1138 2.2759 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4621 -1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0690 1.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0.8310 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4586 -2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 1.4828 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1069 -2.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 -2.9862 0.0000 C 0 0 0 0 0 0 0 0 0 2.1310 1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 1.4793 3.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1069 -3.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 -3.7448 0.0000 C 0 0 0 0 0 0 0 0 0 2.7862 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 2.1379 3.4034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4586 -4.1276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7586 -4.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0.8483 -4.1172 0.0000 O 0 0 0 0 0 0 0 0 0 2.7966 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 3.4345 1.8897 0.0000 O 0 0 0 0 0 0 0 0 0 2.1379 4.1552 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4621 -4.8759 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4069 -3.7379 0.0000 C 0 0 0 0 0 0 0 0 0 1.4966 -3.7414 0.0000 C 0 0 0 0 0 0 0 0 0 3.4483 3.3966 0.0000 O 0 0 0 0 0 0 0 0 0 4.0483 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 1.4897 4.5310 0.0000 C 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 1 0 0 0 2 6 1 1 0 0 3 7 1 0 0 0 3 8 1 1 0 0 4 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 7 12 1 6 0 0 9 13 1 0 0 0 9 14 2 0 0 0 10 15 1 1 0 0 11 16 1 0 0 0 11 17 2 0 0 0 13 18 2 0 0 0 15 19 1 0 0 0 16 20 2 0 0 0 18 21 1 0 0 0 20 22 1 0 0 0 21 23 2 0 0 0 21 24 1 0 0 0 22 25 2 0 0 0 22 26 1 0 0 0 23 27 1 0 0 0 24 28 2 0 0 0 25 29 1 0 0 0 26 30 2 0 0 0 27 31 2 0 0 0 27 32 1 0 0 0 28 33 1 0 0 0 29 34 2 0 0 0 29 35 1 0 0 0 30 36 1 0 0 0 31 37 1 0 0 0 32 38 1 0 0 0 33 39 1 0 0 0 34 40 1 0 0 0 35 41 1 0 0 0 36 42 1 0 0 0 7 10 1 0 0 0 28 31 1 0 0 0 30 34 1 0 0 0 M END