KEGG:C11289 17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide) ISISHOST03240423282D 1 1.00000 0.00000 11035 39 43 0 1 0 999 V2000 18.5524 -8.3462 0.0000 O 0 0 0 0 0 0 0 0 0 17.7248 -8.3427 0.0000 S 0 0 3 0 0 0 0 0 0 17.7179 -7.5151 0.0000 O 0 0 0 0 0 0 0 0 0 17.7179 -9.1668 0.0000 O 0 0 0 0 0 0 0 0 0 16.8973 -8.3427 0.0000 O 0 0 0 0 0 0 0 0 0 24.1952 -3.4984 0.0000 C 0 0 1 0 0 0 0 0 0 24.1952 -4.3109 0.0000 C 0 0 1 0 0 0 0 0 0 24.9031 -4.7150 0.0000 O 0 0 0 0 0 0 0 0 0 25.6026 -4.3109 0.0000 C 0 0 1 0 0 0 0 0 0 25.6026 -3.4984 0.0000 C 0 0 2 0 0 0 0 0 0 24.9031 -3.0900 0.0000 C 0 0 2 0 0 0 0 0 0 24.9041 -2.2775 0.0000 O 0 0 0 0 0 0 0 0 0 26.3090 -4.7145 0.0000 C 0 0 0 0 0 0 0 0 0 26.3090 -3.0906 0.0000 O 0 0 0 0 0 0 0 0 0 23.4934 -3.0897 0.0000 O 0 0 0 0 0 0 0 0 0 23.4476 -4.7029 0.0000 O 0 0 0 0 0 0 0 0 0 19.2542 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 19.2542 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 19.9621 -8.3458 0.0000 C 0 0 0 0 0 0 0 0 0 19.9621 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 20.6616 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 20.6580 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 21.3624 -8.3489 0.0000 C 0 0 0 0 0 0 0 0 0 22.0661 -7.9478 0.0000 C 0 0 0 0 0 0 0 0 0 21.3695 -6.7239 0.0000 C 0 0 2 0 0 0 0 0 0 22.0662 -7.1370 0.0000 C 0 0 2 0 0 0 0 0 0 22.0797 -5.5163 0.0000 C 0 0 0 0 0 0 0 0 0 21.3762 -5.9136 0.0000 C 0 0 0 0 0 0 0 0 0 22.7806 -5.9252 0.0000 C 0 0 1 0 0 0 0 0 0 22.7706 -6.7331 0.0000 C 0 0 1 0 0 0 0 0 0 24.1665 -6.7503 0.0000 C 0 0 0 0 0 0 0 0 0 24.1764 -5.9425 0.0000 C 0 0 0 0 0 0 0 0 0 23.4835 -5.5279 0.0000 C 0 0 2 0 0 0 0 0 0 22.7915 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 27.0107 -4.3098 0.0000 O 0 5 0 0 0 0 0 0 0 26.3096 -5.5270 0.0000 O 0 0 0 0 0 0 0 0 0 22.0584 -6.3084 0.0000 H 0 0 0 0 0 0 0 0 0 21.3625 -7.5459 0.0000 H 0 0 0 0 0 0 0 0 0 22.8042 -7.5542 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 7 8 1 0 0 0 10 14 1 6 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 26 1 0 0 0 25 21 1 0 0 0 8 9 1 0 0 0 18 1 1 0 0 0 6 15 1 6 0 0 9 10 1 0 0 0 7 16 1 1 0 0 10 11 1 0 0 0 25 26 1 0 0 0 26 30 1 0 0 0 29 27 1 0 0 0 27 28 1 0 0 0 28 25 1 0 0 0 11 6 1 0 0 0 11 12 1 1 0 0 17 18 1 0 0 0 18 19 2 0 0 0 29 30 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 29 1 0 0 0 30 31 1 0 0 0 19 22 1 0 0 0 29 34 1 1 0 0 33 16 1 1 0 0 21 20 1 0 0 0 13 35 1 0 0 0 20 17 2 0 0 0 13 36 2 0 0 0 26 37 1 1 0 0 6 7 1 0 0 0 25 38 1 6 0 0 9 13 1 1 0 0 30 39 1 6 0 0 M CHG 1 35 -1 M END