Mol:BMMCPYTY0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 2.8660 4.6713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 6.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 1.6325 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1713 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2731 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 -0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7329 -0.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3262 -1.8126 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2397 -2.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4127 -1.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 -2.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 -3.5352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3163 -2.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 -4.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 -4.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6883 -5.2578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.6018 -5.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -4.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 -6.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 5 9 1 0 0 0 0 4 8 1 0 0 0 0 10 14 1 0 0 0 0 14 13 2 0 0 0 0 13 12 1 0 0 0 0 12 11 2 0 0 0 0 11 10 1 0 0 0 0 9 12 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 22 23 1 0 0 0 0 23 26 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 S SKP 7 ID BMMCPYTY0008 NAME TTP FORMULA C12H20N4O10P3S EXACTMASS 505.0112 AVERAGEMASS 505.2954 SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)c(C)c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)s1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03028 M END