Mol:PR100238
From Metabolomics.JP
ISISHOST03240423202D 1 1.00000 0.00000 7660 42 46 0 0 0 999 V2000 -0.4724 1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4759 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0.2414 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1759 1.8552 0.0000 O 0 3 0 0 0 0 0 0 0 -1.1828 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0.3276 0.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0.9414 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0.2414 2.6552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8897 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8931 0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 1.1172 -0.3724 0.0000 C 0 0 2 0 0 0 0 0 0 1.6483 1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0.9517 3.0586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6000 1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6000 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 1.0897 -1.1897 0.0000 O 0 0 0 0 0 0 0 0 0 1.8414 0.0103 0.0000 C 0 0 1 0 0 0 0 0 0 1.6552 2.6448 0.0000 C 0 0 0 0 0 0 0 0 0 2.3552 1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3103 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3103 0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6000 -0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 1.7828 -1.6241 0.0000 C 0 0 2 0 0 0 0 0 0 2.5345 -0.4241 0.0000 C 0 0 2 0 0 0 0 0 0 1.8724 0.8241 0.0000 O 0 0 0 0 0 0 0 0 0 2.3655 3.0517 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0207 1.8586 0.0000 O 0 0 0 0 0 0 0 0 0 1.7517 -2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 2.5035 -1.2414 0.0000 C 0 0 2 0 0 0 0 0 0 3.2552 -0.0414 0.0000 O 0 0 0 0 0 0 0 0 0 1.0690 -2.8172 0.0000 O 0 0 0 0 0 0 0 0 0 3.1931 -1.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0.2517 -2.3138 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4690 -2.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0.2828 -1.4966 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1552 -2.2586 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4966 -3.5069 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4103 -1.0621 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1276 -1.4483 0.0000 C 0 0 2 0 0 0 0 0 0 -1.8793 -2.6448 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3793 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8241 -1.0138 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 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 11 6 1 1 0 0 7 12 1 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 12 19 1 0 0 0 14 20 2 0 0 0 15 21 2 0 0 0 15 22 1 0 0 0 16 23 1 0 0 0 17 24 1 0 0 0 17 25 1 6 0 0 18 26 1 0 0 0 20 27 1 0 0 0 23 28 1 1 0 0 23 29 1 0 0 0 24 30 1 1 0 0 28 31 1 0 0 0 29 32 1 6 0 0 33 31 1 1 0 0 33 34 1 0 0 0 33 35 1 0 0 0 34 36 1 0 0 0 34 37 1 6 0 0 35 38 1 0 0 0 36 39 1 0 0 0 36 40 1 6 0 0 38 41 1 6 0 0 39 42 1 1 0 0 9 10 2 0 0 0 13 18 1 0 0 0 20 21 1 0 0 0 24 29 1 0 0 0 38 39 1 0 0 0 M CHG 1 4 1 S SKP 2 CAS_RN 18719-76-1 NAME Keracyanin M END