Mol:FL3FACNSS004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -1.0622 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 -0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -1.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 -2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 0.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 -0.4270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 0.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 1.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 1.5530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0318 1.5530 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 16 19 1 0 0 0 0 20 15 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 24 1 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 19 27 1 0 0 0 0 S SKP 8 ID FL3FACNSS004 KNApSAcK_ID C00004331 NAME Luteolin 7,3'-disulfate CAS_RN 59176-62-4 FORMULA C15H10O12S2 EXACTMASS 445.961367164 AVERAGEMASS 446.3647 SMILES Oc(c3)c(cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O)OS(O)(=O)=O M END