2,17-didecarboxy-betanin Mrv2104 06072104222D 35 38 0 0 1 0 999 V2000 21.4442 -5.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1587 -5.4860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1540 -4.6629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4366 -4.2513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7222 -4.6691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7251 -5.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8134 -12.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5171 -12.9315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2393 -12.5261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2426 -11.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5281 -11.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8104 -11.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9525 -12.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9483 -13.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6696 -12.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5299 -10.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1127 -9.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1085 -9.0416 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.6857 -7.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4675 -8.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5131 -7.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7672 -8.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5679 -8.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1200 -8.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8657 -7.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0594 -7.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9455 -8.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4484 -6.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5130 -13.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8732 -5.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4316 -3.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0027 -4.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8648 -4.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9985 -3.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8978 -12.0413 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 8 1 0 0 0 0 9 13 1 6 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 25 28 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 13 14 1 0 0 0 0 8 29 1 0 0 0 0 28 1 1 6 0 0 0 2 3 1 0 0 0 0 2 30 1 1 0 0 0 13 15 2 0 0 0 0 4 31 1 1 0 0 0 3 4 1 0 0 0 0 5 32 1 6 0 0 0 11 16 2 0 0 0 0 3 33 1 6 0 0 0 4 5 1 0 0 0 0 32 34 1 0 0 0 0 16 17 1 0 0 0 0 9 35 1 1 0 0 0 M CHG 1 18 1 M END