KEGG:C08629 Cyanidin 3,5,3'-tri-O-glucoside ISISHOST03240423202D 1 1.00000 0.00000 7669 54 59 0 0 0 999 V2000 0.4828 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0.4793 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 1.1931 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2276 0.7483 0.0000 O 0 3 0 0 0 0 0 0 0 -0.2345 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 1.1862 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 1.1966 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 1.9000 0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9414 0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9414 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 2.0310 -1.3345 0.0000 C 0 0 2 0 0 0 0 0 0 1.9069 1.9655 0.0000 C 0 0 0 0 0 0 0 0 0 2.6138 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6517 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6517 -0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 2.0621 -2.1517 0.0000 O 0 0 0 0 0 0 0 0 0 2.7276 -0.8966 0.0000 C 0 0 1 0 0 0 0 0 0 1.9069 2.7897 0.0000 O 0 0 0 0 0 0 0 0 0 2.6172 1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3621 0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6483 -1.7069 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3621 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 2.7862 -2.5345 0.0000 C 0 0 1 0 0 0 0 0 0 3.4517 -1.2828 0.0000 C 0 0 2 0 0 0 0 0 0 2.6966 -0.0759 0.0000 O 0 0 0 0 0 0 0 0 0 1.0862 3.3241 0.0000 C 0 0 2 0 0 0 0 0 0 3.3276 1.9586 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0724 0.7517 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4345 -2.2310 0.0000 C 0 0 2 0 0 0 0 0 0 3.4793 -2.1034 0.0000 C 0 0 2 0 0 0 0 0 0 2.8172 -3.3552 0.0000 C 0 0 0 0 0 0 0 0 0 4.1448 -0.8448 0.0000 O 0 0 0 0 0 0 0 0 0 1.0724 4.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0.3828 2.9000 0.0000 C 0 0 1 0 0 0 0 0 0 -3.1414 -1.8241 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4345 -3.0517 0.0000 C 0 0 1 0 0 0 0 0 0 4.2034 -2.4862 0.0000 O 0 0 0 0 0 0 0 0 0 2.1207 -3.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0.3552 4.5345 0.0000 C 0 0 1 0 0 0 0 0 0 -0.3310 3.2966 0.0000 C 0 0 2 0 0 0 0 0 0 0.4000 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8552 -2.2310 0.0000 C 0 0 1 0 0 0 0 0 0 -3.1414 -3.4655 0.0000 C 0 0 2 0 0 0 0 0 0 -1.7241 -3.4655 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3483 4.1138 0.0000 C 0 0 2 0 0 0 0 0 0 0.3414 5.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0345 2.8724 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8552 -3.0517 0.0000 C 0 0 2 0 0 0 0 0 0 -4.5655 -1.8241 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1414 -4.2862 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0655 4.5103 0.0000 O 0 0 0 0 0 0 0 0 0 1.0414 5.7828 0.0000 O 0 0 0 0 0 0 0 0 0 -4.5655 -3.4655 0.0000 O 0 0 0 0 0 0 0 0 0 -5.2759 -2.2310 0.0000 O 0 0 0 0 0 0 0 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 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 11 6 1 1 0 0 7 12 2 0 0 0 8 13 1 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 1 0 0 0 12 19 1 0 0 0 14 20 2 0 0 0 15 21 1 0 0 0 15 22 2 0 0 0 16 23 1 0 0 0 17 24 1 0 0 0 17 25 1 6 0 0 26 18 1 1 0 0 19 27 1 0 0 0 20 28 1 0 0 0 29 21 1 1 0 0 23 30 1 0 0 0 23 31 1 1 0 0 24 32 1 1 0 0 26 33 1 0 0 0 26 34 1 0 0 0 29 35 1 0 0 0 29 36 1 0 0 0 30 37 1 6 0 0 31 38 1 0 0 0 33 39 1 0 0 0 34 40 1 0 0 0 34 41 1 6 0 0 35 42 1 0 0 0 36 43 1 0 0 0 36 44 1 6 0 0 39 45 1 0 0 0 39 46 1 1 0 0 40 47 1 1 0 0 42 48 1 0 0 0 42 49 1 1 0 0 43 50 1 1 0 0 45 51 1 6 0 0 46 52 1 0 0 0 48 53 1 6 0 0 49 54 1 0 0 0 9 10 2 0 0 0 13 19 2 0 0 0 20 22 1 0 0 0 24 30 1 0 0 0 40 45 1 0 0 0 43 48 1 0 0 0 M CHG 1 4 1 M END