Mol:FL3FABGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -0.4147 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4147 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -0.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8656 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3574 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8418 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9035 0.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6619 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9339 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6456 -0.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 -0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6922 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 0.7485 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 1 18 1 0 0 0 0 19 3 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 29 28 1 0 0 0 0 23 18 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 25 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -6.5262 4.9914 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 37 M SMT 2 ^CH2OH M SBV 2 37 -7.2813 5.5335 S SKP 8 ID FL3FABGS0008 KNApSAcK_ID C00004208 NAME Acacetin 7-(2''-acetylglucoside) CAS_RN 78886-64-3 FORMULA C24H24O11 EXACTMASS 488.13186161 AVERAGEMASS 488.44076 SMILES OCC(O1)C(O)C(C(C1Oc(c2)cc(c(C(=O)4)c2OC(=C4)c(c3)ccc(c3)OC)O)OC(C)=O)O M END