17-decarboxy-neobetanin Mrv2104 06072104222D 37 40 0 0 1 0 999 V2000 13.1682 -12.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1682 -13.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4538 -12.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4538 -13.8453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7393 -12.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7393 -13.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4837 -11.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8674 -10.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8475 -9.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9732 -8.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7674 -8.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0227 -9.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3077 -9.1221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1312 -9.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5015 -8.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5845 -9.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7321 -8.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2113 -8.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 -8.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 -10.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5485 -9.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8856 -10.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0010 -13.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0010 -14.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2627 -13.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 -7.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5444 -7.2650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1285 -6.7393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5061 -6.8008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3020 -7.3928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7201 -7.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7581 -8.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1661 -7.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0867 -6.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 -7.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3304 -6.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2585 -6.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 11 10 1 0 0 0 0 13 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 13 14 1 1 0 0 0 13 17 1 6 0 0 0 18 10 1 0 0 0 0 12 10 2 0 0 0 0 19 18 2 0 0 0 0 20 12 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 21 22 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 6 23 1 0 0 0 0 30 31 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 32 26 1 6 0 0 0 27 28 1 0 0 0 0 27 33 1 1 0 0 0 29 34 1 1 0 0 0 28 29 1 0 0 0 0 30 35 1 6 0 0 0 28 36 1 6 0 0 0 29 30 1 0 0 0 0 35 37 1 0 0 0 0 19 32 1 0 0 0 0 M END