KEGG:C08542 Celosianin II ISISHOST03240423202D 1 1.00000 0.00000 7582 64 69 0 0 0 999 V2000 2.1138 0.3069 0.0000 C 0 0 0 0 0 0 0 0 0 2.1207 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 2.8966 0.0483 0.0000 N 0 3 0 0 0 0 0 0 0 1.3931 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 2.9069 1.3862 0.0000 C 0 0 0 0 0 0 0 0 0 1.4103 1.5517 0.0000 C 0 0 0 0 0 0 0 0 0 3.3897 0.7138 0.0000 C 0 0 1 0 0 0 0 0 0 2.8966 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0.6862 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0.6931 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 4.2172 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 3.6138 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0345 -0.0828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0172 1.5690 0.0000 O 0 0 0 0 0 0 0 0 0 4.6310 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 4.6310 -0.0034 0.0000 O 0 5 0 0 0 0 0 0 0 3.6138 -2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 2.3966 0.0000 C 0 0 1 0 0 0 0 0 0 2.8931 -2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 4.3310 -2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7345 2.8103 0.0000 C 0 0 2 0 0 0 0 0 0 0.7000 2.8103 0.0000 O 0 0 0 0 0 0 0 0 0 2.8931 -3.2724 0.0000 C 0 0 2 0 0 0 0 0 0 4.3310 -3.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4552 2.3931 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7345 3.6345 0.0000 C 0 0 2 0 0 0 0 0 0 0.7000 3.6379 0.0000 C 0 0 1 0 0 0 0 0 0 3.6138 -3.6897 0.0000 N 0 0 0 0 0 0 0 0 0 2.1759 -3.6897 0.0000 C 0 0 0 0 0 0 0 0 0 5.0483 -3.6897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1724 1.9793 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0172 4.0552 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4552 4.0517 0.0000 O 0 0 0 0 0 0 0 0 0 1.4172 4.0552 0.0000 C 0 0 0 0 0 0 0 0 0 1.4552 -3.2724 0.0000 O 0 0 0 0 0 0 0 0 0 2.1759 -4.5172 0.0000 O 0 0 0 0 0 0 0 0 0 5.0483 -4.5172 0.0000 O 0 0 0 0 0 0 0 0 0 5.7690 -3.2724 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1724 1.1483 0.0000 C 0 0 1 0 0 0 0 0 0 -2.8897 2.3931 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0172 4.8793 0.0000 O 0 0 0 0 0 0 0 0 0 1.4138 4.8828 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8897 0.7379 0.0000 C 0 0 2 0 0 0 0 0 0 -1.4552 0.7379 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6103 1.9793 0.0000 C 0 0 1 0 0 0 0 0 0 -3.6103 1.1483 0.0000 C 0 0 1 0 0 0 0 0 0 -2.8897 -0.0931 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4586 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3276 2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3276 0.7345 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1690 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7448 -0.4931 0.0000 O 0 0 0 0 0 0 0 0 0 -5.0483 1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3276 3.2241 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1690 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8828 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8862 -2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5931 -1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5966 -2.9483 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3035 -1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3069 -2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6000 -3.7690 0.0000 O 0 0 0 0 0 0 0 0 0 -5.0276 -2.9414 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3172 -4.1759 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 6 10 2 0 0 0 7 11 1 1 0 0 8 12 1 0 0 0 9 13 1 0 0 0 10 14 1 0 0 0 11 15 2 0 0 0 11 16 1 0 0 0 12 17 2 0 0 0 18 14 1 1 0 0 17 19 1 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 18 22 1 0 0 0 19 23 1 0 0 0 20 24 2 0 0 0 21 25 1 6 0 0 21 26 1 0 0 0 22 27 1 0 0 0 23 28 1 0 0 0 23 29 1 6 0 0 24 30 1 0 0 0 31 25 1 1 0 0 26 32 1 0 0 0 26 33 1 1 0 0 27 34 1 1 0 0 29 35 1 0 0 0 29 36 2 0 0 0 30 37 1 0 0 0 30 38 2 0 0 0 31 39 1 0 0 0 31 40 1 0 0 0 32 41 1 6 0 0 34 42 1 0 0 0 39 43 1 0 0 0 39 44 1 6 0 0 40 45 1 0 0 0 43 46 1 0 0 0 43 47 1 1 0 0 44 48 1 0 0 0 45 49 1 1 0 0 46 50 1 6 0 0 48 51 1 0 0 0 48 52 2 0 0 0 49 53 1 0 0 0 49 54 2 0 0 0 51 55 2 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 56 58 2 0 0 0 57 59 2 0 0 0 58 60 1 0 0 0 59 61 1 0 0 0 59 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 5 7 1 0 0 0 9 10 1 0 0 0 24 28 1 0 0 0 27 32 1 0 0 0 45 46 1 0 0 0 60 61 2 0 0 0 M CHG 2 3 1 16 -1 M END