Mol:BMMCIZ--S529
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 1 0 0 0 0 0999 V2000 7.4931 -0.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1841 -1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9931 -2.0937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8021 -1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 -0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7532 -1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4963 -1.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0809 0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0754 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9611 -2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6632 0.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9053 0.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2143 1.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4053 1.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5963 1.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6453 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 1.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9053 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.1542 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 0.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 12 19 1 6 0 0 0 15 19 1 6 0 0 0 15 14 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 12 1 1 0 0 0 0 14 18 1 1 0 0 0 13 17 1 1 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 5 4 2 0 0 0 0 4 3 1 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 5 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 4 6 1 0 0 0 0 9 11 2 0 0 0 0 8 9 1 0 0 0 0 S SKP 7 ID BMMCIZ--S529 NAME [(2R,3S,4R,5R) -5- (4-Carbamoyl-5-formamidoimidazol-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate CAS_RN 76965-57-6 FORMULA C10H15N4O9P EXACTMASS 366.057664608 AVERAGEMASS 366.221421 SMILES O=CNc(c(C(N)=O)2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 M END