15-decarboxy-betanin Mrv2104 06072104222D 39 42 0 0 1 0 999 V2000 20.0823 -13.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7961 -12.8518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7915 -12.0293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0747 -11.6181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3608 -12.0355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3637 -12.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4541 -19.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1132 -20.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8790 -19.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8823 -19.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1683 -18.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4511 -19.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8654 -20.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0784 -21.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0674 -20.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1701 -17.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7525 -17.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7483 -16.4047 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.3258 -15.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1078 -15.9185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1526 -15.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4065 -15.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2066 -16.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7583 -15.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5041 -14.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6985 -14.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5832 -15.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0865 -14.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7338 -17.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1091 -20.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5101 -13.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0697 -10.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6418 -11.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5017 -11.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6376 -10.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3257 -16.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1635 -16.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7059 -15.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4862 -14.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 12 2 0 0 0 0 17 18 2 0 0 0 0 18 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 20 18 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 7 13 1 0 0 0 0 7 8 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 13 14 2 0 0 0 0 25 28 1 0 0 0 0 1 2 1 0 0 0 0 13 15 1 0 0 0 0 1 6 1 0 0 0 0 16 29 1 0 0 0 0 8 30 1 0 0 0 0 28 1 1 6 0 0 0 2 3 1 0 0 0 0 2 31 1 1 0 0 0 4 32 1 1 0 0 0 3 4 1 0 0 0 0 5 33 1 6 0 0 0 11 16 2 0 0 0 0 3 34 1 6 0 0 0 4 5 1 0 0 0 0 33 35 1 0 0 0 0 16 17 1 0 0 0 0 37 36 2 0 0 0 0 38 36 1 0 0 0 0 20 36 1 1 0 0 0 20 39 1 6 0 0 0 M CHG 1 18 1 M END