KEGG:C04716 (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside ISISHOST03240423112D 1 1.00000 0.00000 4079 47 53 0 1 0 999 V2000 13.4283 -15.7711 0.0000 O 0 0 0 0 0 0 0 0 0 12.7675 -16.1546 0.0000 C 0 0 2 0 0 0 0 0 0 12.0999 -15.7746 0.0000 O 0 0 0 0 0 0 0 0 0 12.7675 -16.9299 0.0000 C 0 0 1 0 0 0 0 0 0 11.4314 -16.1546 0.0000 C 0 0 1 0 0 0 0 0 0 12.0999 -17.3210 0.0000 C 0 0 2 0 0 0 0 0 0 13.4318 -17.3107 0.0000 O 0 0 0 0 0 0 0 0 0 11.4314 -16.9299 0.0000 C 0 0 2 0 0 0 0 0 0 10.7707 -15.7746 0.0000 C 0 0 0 0 0 0 0 0 0 12.0964 -18.0859 0.0000 O 0 0 0 0 0 0 0 0 0 10.7672 -17.3072 0.0000 O 0 0 0 0 0 0 0 0 0 10.7707 -15.0062 0.0000 O 0 0 0 0 0 0 0 0 0 19.7678 -12.1409 0.0000 C 0 0 2 0 0 0 0 0 0 18.3663 -12.1409 0.0000 C 0 0 2 0 0 0 0 0 0 19.7678 -12.9576 0.0000 O 0 0 0 0 0 0 0 0 0 20.4699 -12.5458 0.0000 C 0 0 0 0 0 0 0 0 0 19.7712 -11.3277 0.0000 O 0 0 0 0 0 0 0 0 0 18.3663 -12.9542 0.0000 C 0 0 1 0 0 0 0 0 0 17.7883 -11.5595 0.0000 C 0 0 0 0 0 0 0 0 0 19.0684 -13.3625 0.0000 C 0 0 2 0 0 0 0 0 0 21.1728 -12.1444 0.0000 C 0 0 0 0 0 0 0 0 0 20.4699 -10.9263 0.0000 C 0 0 0 0 0 0 0 0 0 17.6565 -13.3522 0.0000 C 0 0 2 0 0 0 0 0 0 19.0477 -14.1758 0.0000 C 0 0 0 0 0 0 0 0 0 21.1763 -11.3277 0.0000 C 0 0 1 0 0 0 0 0 0 17.6496 -14.1585 0.0000 C 0 0 1 0 0 0 0 0 0 16.9578 -12.9370 0.0000 C 0 0 0 0 0 0 0 0 0 17.6530 -12.5355 0.0000 C 0 0 0 0 0 0 0 0 0 21.8784 -10.9263 0.0000 C 0 0 0 0 0 0 0 0 0 16.9474 -14.5599 0.0000 C 0 0 1 0 0 0 0 0 0 16.2522 -13.3384 0.0000 C 0 0 0 0 0 0 0 0 0 16.2453 -14.1482 0.0000 C 0 0 2 0 0 0 0 0 0 16.9474 -15.3732 0.0000 C 0 0 0 0 0 0 0 0 0 15.5389 -14.5565 0.0000 C 0 0 2 0 0 0 0 0 0 16.2384 -15.7746 0.0000 C 0 0 0 0 0 0 0 0 0 15.5355 -15.3663 0.0000 C 0 0 2 0 0 0 0 0 0 14.8402 -14.1482 0.0000 C 0 0 0 0 0 0 0 0 0 15.5320 -13.7398 0.0000 C 0 0 0 0 0 0 0 0 0 14.8402 -15.7711 0.0000 C 0 0 0 0 0 0 0 0 0 14.1305 -14.5565 0.0000 C 0 0 0 0 0 0 0 0 0 14.1305 -15.3663 0.0000 C 0 0 2 0 0 0 0 0 0 18.3594 -13.7949 0.0000 H 0 0 0 0 0 0 0 0 0 19.7954 -13.7846 0.0000 H 0 0 0 0 0 0 0 0 0 17.6427 -14.9993 0.0000 H 0 0 0 0 0 0 0 0 0 16.9405 -13.7156 0.0000 H 0 0 0 0 0 0 0 0 0 16.2384 -14.9889 0.0000 H 0 0 0 0 0 0 0 0 0 15.5286 -16.2036 0.0000 H 0 0 0 0 0 0 0 0 0 6 10 1 1 0 0 8 11 1 6 0 0 9 12 1 0 0 0 6 8 1 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 6 0 0 5 8 1 0 0 0 5 9 1 1 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 13 17 1 6 0 0 14 18 1 0 0 0 14 19 1 6 0 0 15 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 18 23 1 0 0 0 20 24 1 0 0 0 21 25 1 0 0 0 23 26 1 0 0 0 23 27 1 0 0 0 23 28 1 1 0 0 25 29 1 1 0 0 26 30 1 0 0 0 27 31 1 0 0 0 30 32 1 0 0 0 30 33 1 0 0 0 32 34 1 0 0 0 33 35 1 0 0 0 34 36 1 0 0 0 34 37 1 0 0 0 34 38 1 1 0 0 36 39 1 0 0 0 37 40 1 0 0 0 39 41 1 0 0 0 41 1 1 1 0 0 18 20 1 0 0 0 22 25 1 0 0 0 24 26 1 0 0 0 31 32 1 0 0 0 35 36 1 0 0 0 40 41 1 0 0 0 18 42 1 6 0 0 20 43 1 6 0 0 26 44 1 6 0 0 30 45 1 1 0 0 32 46 1 6 0 0 36 47 1 1 0 0 M END