KEGG:C00531 Itaconyl-CoA ISISHOST03240423022D 1 1.00000 0.00000 512 56 58 0 1 0 999 V2000 0.4862 2.7690 0.0000 N 0 0 3 0 0 0 0 0 0 0.1759 1.4655 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8241 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0.4862 3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0517 0.7586 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4448 1.9138 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8241 3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4828 2.3828 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1690 3.9069 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8172 0.7586 0.0000 C 0 0 1 0 0 0 0 0 0 0.3897 0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0552 1.4759 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4828 3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1310 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2034 0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7586 1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1310 3.5241 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4862 4.6517 0.0000 N 0 0 0 0 0 0 0 0 0 -2.0000 0.2276 0.0000 P 0 0 3 0 0 0 0 0 0 -2.7828 1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9414 0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7345 0.2103 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0069 -0.5276 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9793 1.1966 0.0000 P 0 0 3 0 0 0 0 0 0 -3.9828 -0.3897 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9759 1.9552 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7345 1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9759 -1.9207 0.0000 P 0 0 3 0 0 0 0 0 0 -3.1966 -1.9035 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9897 -2.8069 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7310 -1.9069 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5483 -1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9000 -1.9035 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2483 -1.5310 0.0000 C 0 0 3 0 0 0 0 0 0 -1.9069 -2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9138 -1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6000 -1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2483 -0.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0.0483 -1.5310 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6000 -2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0.7000 -1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 1.3483 -1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 1.9966 -1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 2.6483 -1.5310 0.0000 N 0 0 0 0 0 0 0 0 0 1.9966 -2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 3.2966 -1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 3.9448 -1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 4.5966 -1.9035 0.0000 S 0 0 0 0 0 0 0 0 0 5.2448 -1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 5.8931 -1.9069 0.0000 C 0 0 0 0 0 0 0 0 0 5.2448 -0.7828 0.0000 O 0 0 0 0 0 0 0 0 0 6.5448 -1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 6.5448 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 7.1931 -1.9069 0.0000 C 0 0 0 0 0 0 0 0 0 5.8931 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 7.1966 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 1 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 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 5 11 1 6 0 0 6 12 1 0 0 0 7 13 1 0 0 0 8 14 2 0 0 0 10 15 1 6 0 0 12 16 1 1 0 0 13 17 2 0 0 0 13 18 1 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 19 23 2 0 0 0 20 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 2 0 0 0 25 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 2 0 0 0 29 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 34 37 1 0 0 0 34 38 1 0 0 0 37 39 1 0 0 0 37 40 2 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 43 45 2 0 0 0 44 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 49 51 2 0 0 0 50 52 1 0 0 0 52 53 1 0 0 0 52 54 2 0 0 0 53 55 1 0 0 0 53 56 2 0 0 0 7 9 1 0 0 0 10 12 1 0 0 0 14 17 1 0 0 0 M END