Mol:PR100698
From Metabolomics.JP
16 16 0 0 0 0 0 0 0 0999 V2000 21.3604 -16.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1343 -15.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3604 -17.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5672 -15.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9274 -16.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1278 -14.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1343 -18.6384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7741 -16.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9274 -17.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7141 -15.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3347 -13.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1544 -16.5263 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.7141 -18.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5475 -16.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1480 -18.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1544 -14.9934 0.0000 O 0 0 0 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 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 8 12 1 0 0 0 9 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 12 16 2 0 0 0 7 9 2 0 0 0 S SKP 7 CAS_RN 54-47-7 NAME Pyridoxal 5'-phosphate ID PR100698 FORMULA C8H10NO6P EXACTMASS 247.024573567 AVERAGEMASS 247.141901 SMILES O=Cc(c(O)1)c(cnc(C)1)COP(O)(O)=O M END