Mol:FL3FACNSS002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.6247 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6247 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1737 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1737 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -0.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0902 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0902 0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 -0.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1737 -1.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0902 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0902 1.5117 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0902 1.9861 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FL3FACNSS002 KNApSAcK_ID C00004329 NAME Luteolin 3'-sulfate CAS_RN 59176-61-3 FORMULA C15H10O9S EXACTMASS 366.00455260800004 AVERAGEMASS 366.30050000000006 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(c(O)c2)OS(O)(=O)=O M END