KEGG:C08612 Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside) ISISHOST03240423202D 1 1.00000 0.00000 7652 52 57 0 0 0 999 V2000 -0.4483 2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4517 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0.2414 2.5069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1276 2.5138 0.0000 O 0 3 0 0 0 0 0 0 0 0.1690 0.8966 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1345 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0.2414 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0.9276 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8138 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0.1724 0.1345 0.0000 C 0 0 1 0 0 0 0 0 0 -1.8172 1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0.9310 3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 1.6138 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5069 2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0.8517 -0.2586 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5138 -0.2586 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5069 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 1.6172 3.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0.9345 4.4724 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1966 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 1.5379 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0.8517 -1.0448 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5138 -1.0448 0.0000 C 0 0 1 0 0 0 0 0 0 -3.1966 1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5069 0.1379 0.0000 O 0 0 0 0 0 0 0 0 0 2.3034 3.6931 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8931 2.5172 0.0000 O 0 0 0 0 0 0 0 0 0 2.3586 0.6310 0.0000 C 0 0 1 0 0 0 0 0 0 0.1724 -1.4448 0.0000 C 0 0 2 0 0 0 0 0 0 1.5345 -1.4448 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2000 -1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 2.3586 1.4207 0.0000 C 0 0 1 0 0 0 0 0 0 3.0483 0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0.1724 -2.2310 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1966 -2.2690 0.0000 O 0 0 0 0 0 0 0 0 0 3.0483 1.8207 0.0000 C 0 0 2 0 0 0 0 0 0 1.6759 1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 3.7310 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1793 -3.2897 0.0000 C 0 0 2 0 0 0 0 0 0 3.7310 1.4207 0.0000 C 0 0 1 0 0 0 0 0 0 3.0483 2.6138 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8586 -3.6862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4966 -3.6862 0.0000 C 0 0 1 0 0 0 0 0 0 4.4172 1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8586 -4.4793 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4966 -4.4793 0.0000 C 0 0 2 0 0 0 0 0 0 0.1828 -3.2931 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1793 -4.8724 0.0000 C 0 0 2 0 0 0 0 0 0 -2.5379 -4.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0.1828 -4.8724 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1793 -5.6552 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2310 -4.4793 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 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 10 5 1 1 0 0 6 11 1 0 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 10 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 6 0 0 15 22 1 0 0 0 16 23 1 0 0 0 17 24 2 0 0 0 17 25 1 0 0 0 18 26 1 0 0 0 20 27 1 0 0 0 28 21 1 1 0 0 22 29 1 0 0 0 22 30 1 1 0 0 23 31 1 1 0 0 28 32 1 0 0 0 28 33 1 0 0 0 29 34 1 1 0 0 31 35 1 0 0 0 32 36 1 0 0 0 32 37 1 6 0 0 33 38 1 0 0 0 39 35 1 1 0 0 36 40 1 0 0 0 36 41 1 1 0 0 39 42 1 0 0 0 39 43 1 0 0 0 40 44 1 6 0 0 42 45 1 0 0 0 43 46 1 0 0 0 43 47 1 6 0 0 45 48 1 0 0 0 45 49 1 1 0 0 46 50 1 1 0 0 48 51 1 6 0 0 49 52 1 0 0 0 9 11 2 0 0 0 13 18 2 0 0 0 20 24 1 0 0 0 23 29 1 0 0 0 38 40 1 0 0 0 46 48 1 0 0 0 M CHG 1 4 1 M END