Mol:FL3FCEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.7920 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -1.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9228 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9228 0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 1.3229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4578 0.6423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7153 0.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0011 0.9387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5195 1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 1.1166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6872 0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -1.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 0.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6286 2.6108 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 16 18 1 0 0 0 0 3 19 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 23 18 1 0 0 0 0 1 29 1 0 0 0 0 29 30 1 0 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 25 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 -1.3583 1.927 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 1.9728 0.5059 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 -2.1493 -0.0072 S SKP 8 ID FL3FCEGS0001 KNApSAcK_ID C00004373 NAME Luteolin 7,4'-dimethyl ether 3'-glucoside CAS_RN 110559-12-1 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES O[C@@H]([C@H]1O)[C@H](Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)[C@@H]1O M END