KEGG:C11346 16alpha,17beta-Estriol 17-(beta-D-glucuronide) ISISHOST03240423282D 1 1.00000 0.00000 11211 36 40 0 1 0 999 V2000 16.9934 -13.4538 0.0000 C 0 0 1 0 0 0 0 0 0 16.9934 -14.2580 0.0000 C 0 0 1 0 0 0 0 0 0 17.6971 -14.6579 0.0000 O 0 0 0 0 0 0 0 0 0 18.3883 -14.2580 0.0000 C 0 0 1 0 0 0 0 0 0 18.3883 -13.4538 0.0000 C 0 0 2 0 0 0 0 0 0 17.6971 -13.0496 0.0000 C 0 0 2 0 0 0 0 0 0 17.6981 -12.2412 0.0000 O 0 0 0 0 0 0 0 0 0 19.0864 -14.6574 0.0000 C 0 0 0 0 0 0 0 0 0 19.0864 -13.0502 0.0000 O 0 0 0 0 0 0 0 0 0 16.2999 -13.0493 0.0000 O 0 0 0 0 0 0 0 0 0 16.2541 -14.6458 0.0000 O 0 0 0 0 0 0 0 0 0 19.7839 -14.2569 0.0000 O 0 5 0 0 0 0 0 0 0 19.0870 -15.4616 0.0000 O 0 0 0 0 0 0 0 0 0 15.5514 -15.8711 0.0000 C 0 0 1 0 0 0 0 0 0 15.5514 -16.6878 0.0000 C 0 0 1 0 0 0 0 0 0 16.9629 -16.6878 0.0000 C 0 0 0 0 0 0 0 0 0 16.9629 -15.8711 0.0000 C 0 0 2 0 0 0 0 0 0 16.2591 -15.4628 0.0000 C 0 0 2 0 0 0 0 0 0 12.0083 -17.0792 0.0000 C 0 0 0 0 0 0 0 0 0 12.0083 -17.8959 0.0000 C 0 0 0 0 0 0 0 0 0 12.7203 -18.3042 0.0000 C 0 0 0 0 0 0 0 0 0 12.7203 -16.6709 0.0000 C 0 0 0 0 0 0 0 0 0 13.4240 -17.0792 0.0000 C 0 0 0 0 0 0 0 0 0 13.4205 -17.8959 0.0000 C 0 0 0 0 0 0 0 0 0 14.1249 -18.3072 0.0000 C 0 0 0 0 0 0 0 0 0 14.8369 -17.9020 0.0000 C 0 0 0 0 0 0 0 0 0 14.1319 -16.6739 0.0000 C 0 0 2 0 0 0 0 0 0 14.8369 -17.0870 0.0000 C 0 0 2 0 0 0 0 0 0 14.8504 -15.4580 0.0000 C 0 0 0 0 0 0 0 0 0 14.1387 -15.8594 0.0000 C 0 0 0 0 0 0 0 0 0 14.8291 -16.2666 0.0000 H 0 0 0 0 0 0 0 0 0 15.5458 -17.5041 0.0000 H 0 0 0 0 0 0 0 0 0 14.1250 -17.4875 0.0000 H 0 0 0 0 0 0 0 0 0 11.2999 -18.3000 0.0000 O 0 0 0 0 0 0 0 0 0 15.5459 -15.0541 0.0000 C 0 0 0 0 0 0 0 0 0 17.6708 -15.4584 0.0000 O 0 0 0 0 0 0 0 0 0 8 13 2 0 0 0 1 2 1 0 0 0 4 8 1 1 0 0 2 3 1 0 0 0 5 9 1 6 0 0 3 4 1 0 0 0 1 10 1 6 0 0 4 5 1 0 0 0 2 11 1 1 0 0 5 6 1 0 0 0 6 1 1 0 0 0 6 7 1 1 0 0 17 18 1 0 0 0 18 14 1 0 0 0 15 16 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 24 2 0 0 0 23 22 2 0 0 0 22 19 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 28 1 0 0 0 27 23 1 0 0 0 27 28 1 0 0 0 28 15 1 0 0 0 14 29 1 0 0 0 29 30 1 0 0 0 30 27 1 0 0 0 28 31 1 1 0 0 14 15 1 0 0 0 15 32 1 6 0 0 16 17 1 0 0 0 27 33 1 6 0 0 20 34 1 0 0 0 14 35 1 1 0 0 18 11 1 1 0 0 8 12 1 0 0 0 17 36 1 6 0 0 M CHG 1 12 -1 M END