KEGG:C12646 Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside ISISHOST11090423402D 1 1.00000 0.00000 15543 53 58 0 1 0 999 V2000 14.8401 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 14.8366 -2.3036 0.0000 C 0 0 0 0 0 0 0 0 0 15.5539 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 14.1366 -1.0656 0.0000 O 0 3 0 0 0 0 0 0 0 14.1297 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 15.6401 -2.7622 0.0000 O 0 0 0 0 0 0 0 0 0 16.2539 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 15.5539 -0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 13.4228 -1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 13.4194 -2.3001 0.0000 C 0 0 0 0 0 0 0 0 0 16.4297 -3.2932 0.0000 C 0 0 2 0 0 0 0 0 0 16.9608 -1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 16.2642 0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 12.7125 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 12.7125 -2.7036 0.0000 C 0 0 0 0 0 0 0 0 0 16.4022 -4.1105 0.0000 O 0 0 0 0 0 0 0 0 0 17.1539 -2.9105 0.0000 C 0 0 1 0 0 0 0 0 0 16.9677 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 12.0022 -1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 12.0022 -2.3001 0.0000 C 0 0 0 0 0 0 0 0 0 12.7125 -3.5277 0.0000 O 0 0 0 0 0 0 0 0 0 17.0953 -4.5449 0.0000 C 0 0 2 0 0 0 0 0 0 17.8470 -3.3449 0.0000 C 0 0 2 0 0 0 0 0 0 17.1849 -2.0967 0.0000 O 0 0 0 0 0 0 0 0 0 17.6780 0.1309 0.0000 O 0 0 0 0 0 0 0 0 0 11.2918 -1.0622 0.0000 O 0 0 0 0 0 0 0 0 0 17.0642 -5.3587 0.0000 C 0 0 0 0 0 0 0 0 0 17.8160 -4.1622 0.0000 C 0 0 2 0 0 0 0 0 0 18.5677 -2.9622 0.0000 O 0 0 0 0 0 0 0 0 0 16.3815 -5.7380 0.0000 O 0 0 0 0 0 0 0 0 0 18.5056 -4.6001 0.0000 O 0 0 0 0 0 0 0 0 0 15.5642 -5.2346 0.0000 C 0 0 1 0 0 0 0 0 0 14.8435 -5.6139 0.0000 C 0 0 1 0 0 0 0 0 0 15.5953 -4.4174 0.0000 O 0 0 0 0 0 0 0 0 0 14.1573 -5.1794 0.0000 C 0 0 1 0 0 0 0 0 0 14.8159 -6.4277 0.0000 O 0 0 0 0 0 0 0 0 0 14.9022 -3.9829 0.0000 C 0 0 2 0 0 0 0 0 0 14.1849 -4.3691 0.0000 C 0 0 2 0 0 0 0 0 0 13.4332 -5.5656 0.0000 O 0 0 0 0 0 0 0 0 0 14.9332 -3.1656 0.0000 C 0 0 0 0 0 0 0 0 0 13.4884 -3.9346 0.0000 O 0 0 0 0 0 0 0 0 0 11.9981 -3.9402 0.0000 C 0 0 2 0 0 0 0 0 0 11.2874 -3.5271 0.0000 O 0 0 0 0 0 0 0 0 0 10.5729 -3.9396 0.0000 C 0 0 1 0 0 0 0 0 0 10.5729 -4.7646 0.0000 C 0 0 2 0 0 0 0 0 0 11.2874 -5.1771 0.0000 C 0 0 1 0 0 0 0 0 0 12.0019 -4.7646 0.0000 C 0 0 1 0 0 0 0 0 0 12.7173 -5.1754 0.0000 O 0 0 0 0 0 0 0 0 0 11.2874 -6.0021 0.0000 O 0 0 0 0 0 0 0 0 0 9.8584 -5.1771 0.0000 O 0 0 0 0 0 0 0 0 0 9.8584 -3.5271 0.0000 C 0 0 0 0 0 0 0 0 0 9.1440 -3.9396 0.0000 O 0 0 0 0 0 0 0 0 0 17.6725 -1.5071 0.0000 O 0 0 0 0 0 0 0 0 0 8 13 2 0 0 0 9 14 1 0 0 0 10 15 1 0 0 0 11 16 1 0 0 0 11 17 1 0 0 0 12 18 2 0 0 0 14 19 2 0 0 0 15 20 2 0 0 0 15 21 1 0 0 0 16 22 1 0 0 0 17 23 1 0 0 0 17 24 1 6 0 0 18 25 1 0 0 0 19 26 1 0 0 0 22 27 1 1 0 0 22 28 1 0 0 0 23 29 1 1 0 0 27 30 1 0 0 0 28 31 1 6 0 0 32 30 1 1 0 0 32 33 1 0 0 0 32 34 1 0 0 0 33 35 1 0 0 0 33 36 1 6 0 0 34 37 1 0 0 0 35 38 1 0 0 0 35 39 1 6 0 0 37 40 1 6 0 0 38 41 1 1 0 0 9 10 2 0 0 0 13 18 1 0 0 0 19 20 1 0 0 0 23 28 1 0 0 0 37 38 1 0 0 0 42 21 1 1 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 42 1 0 0 0 3 7 2 0 0 0 47 48 1 6 0 0 3 8 1 0 0 0 46 49 1 1 0 0 4 9 1 0 0 0 45 50 1 6 0 0 5 10 1 0 0 0 44 51 1 1 0 0 11 6 1 1 0 0 51 52 1 0 0 0 7 12 1 0 0 0 12 53 1 0 0 0 M CHG 1 4 1 M END