KEGG:C11288 16alpha,17beta-Estriol 3-(beta-D-glucuronide) ISISHOST03240423282D 1 1.00000 0.00000 11034 36 40 0 1 0 999 V2000 -1.6875 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4042 -13.1000 0.0000 C 0 0 2 0 0 0 0 0 0 -3.1161 -12.6835 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8328 -13.0918 0.0000 C 0 0 1 0 0 0 0 0 0 -3.8375 -13.9167 0.0000 C 0 0 2 0 0 0 0 0 0 -3.1255 -14.3332 0.0000 C 0 0 1 0 0 0 0 0 0 -2.4089 -13.9248 0.0000 C 0 0 1 0 0 0 0 0 0 -4.5500 -12.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5583 -14.3208 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1333 -15.1542 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7000 -14.3333 0.0000 O 0 0 0 0 0 0 0 0 0 -5.2667 -13.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -4.5542 -11.8542 0.0000 O 0 0 0 0 0 0 0 0 0 2.3639 -10.3794 0.0000 C 0 0 1 0 0 0 0 0 0 2.3639 -11.2044 0.0000 C 0 0 1 0 0 0 0 0 0 3.7921 -11.2044 0.0000 C 0 0 0 0 0 0 0 0 0 3.7921 -10.3794 0.0000 C 0 0 2 0 0 0 0 0 0 3.0800 -9.9669 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2125 -11.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2125 -12.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4963 -12.8375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4963 -11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2157 -11.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0.2122 -12.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.9249 -12.8405 0.0000 C 0 0 0 0 0 0 0 0 0 1.6411 -12.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0.9319 -11.1906 0.0000 C 0 0 2 0 0 0 0 0 0 1.6411 -11.6078 0.0000 C 0 0 2 0 0 0 0 0 0 1.6546 -9.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0.9387 -10.3677 0.0000 C 0 0 0 0 0 0 0 0 0 2.3583 -9.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.9250 -12.0125 0.0000 H 0 0 0 0 0 0 0 0 0 1.6333 -10.7792 0.0000 H 0 0 0 0 0 0 0 0 0 2.3583 -12.0292 0.0000 H 0 0 0 0 0 0 0 0 0 4.5042 -9.9625 0.0000 O 0 0 0 0 0 0 0 0 0 3.0750 -9.1417 0.0000 O 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 5 9 1 6 0 0 2 3 1 0 0 0 6 10 1 1 0 0 3 4 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 7 11 1 6 0 0 4 5 1 0 0 0 8 12 2 0 0 0 5 6 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 8 13 1 0 0 0 6 7 1 0 0 0 7 2 1 0 0 0 2 1 1 1 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 4 8 1 1 0 0 14 31 1 1 0 0 20 1 1 0 0 0 27 32 1 6 0 0 14 15 1 0 0 0 28 33 1 1 0 0 16 17 1 0 0 0 15 34 1 6 0 0 17 18 1 0 0 0 17 35 1 6 0 0 18 14 1 0 0 0 18 36 1 1 0 0 M END