Mol:FL3FAGNSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5907 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -0.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -2.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 -0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5839 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5839 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 -0.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 1.6177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 1.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 1.6177 0.0000 O 0 0 0 0 0 0 0 0 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 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 22 16 1 0 0 0 0 S SKP 8 ID FL3FAGNSS001 KNApSAcK_ID C00004455 NAME Tricetin 3'-sulfate CAS_RN 59176-59-9 FORMULA C15H10O10S EXACTMASS 381.99946723 AVERAGEMASS 382.2999 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(OS(O)(=O)=O)c(O)c(O)2 M END