2,15,17-tridecarboxy-betanin Mrv2104 06072104222D 32 35 0 0 1 0 999 V2000 20.1984 -13.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9124 -12.9024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9078 -12.0798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1908 -11.6685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4767 -12.0860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4796 -12.9149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5695 -19.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2950 -20.3438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9946 -19.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9979 -19.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2838 -18.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5665 -19.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2856 -17.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8681 -17.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8639 -16.4560 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.4414 -15.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2233 -15.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2682 -15.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5222 -15.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3225 -16.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8744 -15.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6201 -14.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8143 -14.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6993 -15.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2026 -14.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8492 -17.5585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2909 -21.1757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6265 -13.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1858 -10.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7576 -11.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6181 -11.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7534 -10.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 12 2 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 18 16 1 0 0 0 0 16 17 1 0 0 0 0 17 15 1 0 0 0 0 18 19 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 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 13 26 1 0 0 0 0 8 27 1 0 0 0 0 25 1 1 6 0 0 0 2 3 1 0 0 0 0 2 28 1 1 0 0 0 4 29 1 1 0 0 0 3 4 1 0 0 0 0 5 30 1 6 0 0 0 11 13 2 0 0 0 0 3 31 1 6 0 0 0 4 5 1 0 0 0 0 30 32 1 0 0 0 0 13 14 1 0 0 0 0 M CHG 1 15 1 M END