Mol:FL3FCDGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -3.7029 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 1.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 1.1975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3380 0.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0835 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 0.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2212 1.1975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4757 0.9845 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0057 1.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 1.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 2.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5601 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0601 0.1403 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 15 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 18 21 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 23 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 33 34 M SBL 3 1 36 M SMT 3 CH2OH M SVB 3 36 3.3457 0.5528 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 34 M SMT 2 OCH3 M SVB 2 34 -4.0601 0.4036 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 -0.7582 1.3866 S SKP 8 ID FL3FCDGS0003 KNApSAcK_ID C00004371 NAME Luteolin 7,3'-dimethyl ether 4'-glucoside CAS_RN 30271-21-7 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(cc(c3)C(O2)=CC(c(c12)c(cc(c1)OC)O)=O)OC M END