Mol:PR100069
From Metabolomics.JP
ISISHOST03240423152D 1 1.00000 0.00000 5604 16 18 0 0 0 999 V2000 0.5483 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2310 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 1.0379 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0.8793 -1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2276 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9379 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0.5552 0.7897 0.0000 N 0 0 0 0 0 0 0 0 0 1.8552 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 1.6965 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9379 0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6552 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 2.1862 -0.7172 0.0000 N 0 0 0 0 0 0 0 0 0 2.3448 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6552 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3690 0.9552 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0862 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 8 12 2 0 0 0 8 13 1 0 0 0 10 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 5 7 1 0 0 0 9 12 1 0 0 0 11 14 2 0 0 0 PR100069p.mol:cas nothing M END