KEGG:C01155 Quercetin 3,3'-bissulfate ISISHOST11100423042D 1 1.00000 0.00000 1085 30 32 0 0 0 999 V2000 3.2247 -6.7663 0.0000 C 0 0 0 0 0 0 0 0 0 3.2109 -7.5490 0.0000 C 0 0 0 0 0 0 0 0 0 3.8730 -6.3870 0.0000 C 0 0 0 0 0 0 0 0 0 2.5626 -6.3835 0.0000 O 0 0 0 0 0 0 0 0 0 2.5661 -7.9111 0.0000 C 0 0 0 0 0 0 0 0 0 3.8799 -7.9076 0.0000 O 0 0 0 0 0 0 0 0 0 3.8695 -5.6421 0.0000 C 0 0 0 0 0 0 0 0 0 4.5247 -6.7594 0.0000 C 0 0 0 0 0 0 0 0 0 1.9040 -6.7697 0.0000 C 0 0 0 0 0 0 0 0 0 1.9040 -7.5283 0.0000 C 0 0 0 0 0 0 0 0 0 2.5661 -8.6594 0.0000 O 0 0 0 0 0 0 0 0 0 4.6247 -7.9042 0.0000 S 0 0 3 0 0 0 0 0 0 4.5143 -5.2628 0.0000 C 0 0 0 0 0 0 0 0 0 5.1592 -6.4145 0.0000 C 0 0 0 0 0 0 0 0 0 1.2454 -6.3973 0.0000 C 0 0 0 0 0 0 0 0 0 1.2454 -7.9111 0.0000 C 0 0 0 0 0 0 0 0 0 4.6247 -8.6525 0.0000 O 0 0 0 0 0 0 0 0 0 5.3764 -7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6247 -7.1525 0.0000 O 0 0 0 0 0 0 0 0 0 5.1661 -5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0.5971 -6.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0.5971 -7.5283 0.0000 C 0 0 0 0 0 0 0 0 0 1.2454 -8.6628 0.0000 O 0 0 0 0 0 0 0 0 0 5.8178 -5.2594 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0512 -6.3973 0.0000 O 0 0 0 0 0 0 0 0 0 5.8665 -6.8392 0.0000 O 0 0 0 0 0 0 0 0 0 6.6875 -6.8375 0.0000 S 0 0 3 0 0 0 0 0 0 6.6833 -7.6625 0.0000 O 0 0 0 0 0 0 0 0 0 6.6833 -6.0125 0.0000 O 0 0 0 0 0 0 0 0 0 7.5125 -6.8375 0.0000 O 0 0 0 0 0 0 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 15 21 2 0 0 0 16 22 2 0 0 0 16 23 1 0 0 0 20 24 1 0 0 0 21 25 1 0 0 0 9 10 2 0 0 0 14 20 2 0 0 0 21 22 1 0 0 0 14 26 1 0 0 0 1 2 2 0 0 0 26 27 1 0 0 0 1 3 1 0 0 0 27 28 1 0 0 0 1 4 1 0 0 0 27 29 2 0 0 0 2 5 1 0 0 0 27 30 2 0 0 0 M END