Mol:PR100203
From Metabolomics.JP
ACD/Labs08060911592D 18 19 0 0 0 0 0 0 0 0 2 V2000 19.7224 -3.9827 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.3052 -4.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9571 -3.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3421 -3.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1839 -4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4306 -5.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2433 -4.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0757 -3.4788 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.7261 -4.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2433 -4.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5192 -3.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4192 -4.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5192 -5.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5565 -5.6671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8088 -4.1338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1537 -4.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8088 -4.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0950 -5.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 17 18 1 0 0 0 0 5 8 1 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 1 1 S SKP 2 CAS_RN 70-16-6 NAME Thiamine M END