KEGG:C04806 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside ISISHOST03240423112D 1 1.00000 0.00000 4161 46 51 0 1 0 999 V2000 1.4414 -0.6483 0.0000 C 0 0 3 0 0 0 0 0 0 0.7759 -1.0345 0.0000 C 0 0 3 0 0 0 0 0 0 1.4448 0.1207 0.0000 C 0 0 3 0 0 0 0 0 0 2.7724 -0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0.1138 -0.6552 0.0000 C 0 0 3 0 0 0 0 0 0 0.7828 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1103 0.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0.7724 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.3241 0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 2.7759 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5414 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0.1276 0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0.1207 -2.1793 0.0000 C 0 0 0 0 0 0 0 0 0 2.0759 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5414 -1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2000 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 2.7621 1.6310 0.0000 C 0 0 1 0 0 0 0 0 0 -1.2000 -2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8517 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 2.7621 2.3897 0.0000 C 0 0 1 0 0 0 0 0 0 3.4207 1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8517 -1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 3.4207 2.7724 0.0000 C 0 0 2 0 0 0 0 0 0 2.1172 2.8931 0.0000 N 0 0 0 0 0 0 0 0 0 4.0690 1.6310 0.0000 C 0 0 1 0 0 0 0 0 0 -2.5035 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 4.0690 2.3897 0.0000 C 0 0 1 0 0 0 0 0 0 3.4241 3.5241 0.0000 O 0 0 0 0 0 0 0 0 0 1.2379 2.5483 0.0000 C 0 0 0 0 0 0 0 0 0 4.7207 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1517 -1.7931 0.0000 C 0 0 2 0 0 0 0 0 0 4.7207 2.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0.5897 2.9241 0.0000 C 0 0 0 0 0 0 0 0 0 1.2448 1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 4.7207 0.5069 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8103 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1517 -1.0345 0.0000 C 0 0 1 0 0 0 0 0 0 -4.4586 -1.7931 0.0000 C 0 0 1 0 0 0 0 0 0 -3.8103 -0.6517 0.0000 C 0 0 2 0 0 0 0 0 0 -2.5035 -0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4586 -1.0345 0.0000 C 0 0 2 0 0 0 0 0 0 -5.1069 -2.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8103 0.0966 0.0000 O 0 0 0 0 0 0 0 0 0 -5.1103 -0.6621 0.0000 O 0 0 0 0 0 0 0 0 0 -5.1069 -2.9172 0.0000 O 0 0 0 0 0 0 0 0 0 -5.7586 -1.7931 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 7 14 1 6 0 0 11 15 2 0 0 0 11 16 1 0 0 0 17 14 1 1 0 0 15 18 1 0 0 0 16 19 2 0 0 0 17 20 1 0 0 0 17 21 1 0 0 0 18 22 2 0 0 0 20 23 1 0 0 0 20 24 1 6 0 0 21 25 1 0 0 0 22 26 1 0 0 0 23 27 1 0 0 0 23 28 1 1 0 0 24 29 1 0 0 0 25 30 1 1 0 0 31 26 1 6 0 0 27 32 1 6 0 0 29 33 1 0 0 0 29 34 2 0 0 0 30 35 1 0 0 0 31 36 1 0 0 0 31 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 37 40 1 1 0 0 38 41 1 0 0 0 38 42 1 6 0 0 39 43 1 6 0 0 41 44 1 1 0 0 42 45 1 0 0 0 42 46 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 15 1 0 0 0 19 22 1 0 0 0 25 27 1 0 0 0 39 41 1 0 0 0 M END