KEGG:C03898 Quercetin 3,4',7-trissulfate ISISHOST03240423092D 1 1.00000 0.00000 3386 34 36 0 0 0 999 V2000 0.0931 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0.0828 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0.7414 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5690 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5655 -1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0.7483 -1.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0.7379 1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 1.3931 -0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2276 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2276 -0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5655 -1.9759 0.0000 O 0 0 0 0 0 0 0 0 0 1.4966 -1.2207 0.0000 S 0 0 3 0 0 0 0 0 0 1.3828 1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 2.0276 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8862 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8862 -1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 1.4931 -1.9690 0.0000 O 0 0 0 0 0 0 0 0 0 2.2448 -1.2207 0.0000 O 0 0 0 0 0 0 0 0 0 1.4931 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 2.0345 1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 1.3966 2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5345 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5345 -0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8862 -1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 2.6828 1.4241 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1828 0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 3.4345 1.4241 0.0000 S 0 0 3 0 0 0 0 0 0 -3.9345 0.2897 0.0000 S 0 0 3 0 0 0 0 0 0 3.4345 0.6759 0.0000 O 0 0 0 0 0 0 0 0 0 3.4483 2.2034 0.0000 O 0 0 0 0 0 0 0 0 0 4.1828 1.4241 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9345 1.0379 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6828 0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9345 -0.4621 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 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 2 0 0 0 6 12 1 0 0 0 7 13 2 0 0 0 8 14 1 0 0 0 9 15 1 0 0 0 10 16 1 0 0 0 12 17 1 0 0 0 12 18 2 0 0 0 12 19 2 0 0 0 13 20 1 0 0 0 13 21 1 0 0 0 15 22 2 0 0 0 16 23 2 0 0 0 16 24 1 0 0 0 20 25 1 0 0 0 22 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 27 30 2 0 0 0 27 31 2 0 0 0 28 32 1 0 0 0 28 33 2 0 0 0 28 34 2 0 0 0 9 10 2 0 0 0 14 20 2 0 0 0 22 23 1 0 0 0 M END