Mol:FL5FDECS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.4178 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4178 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 -2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 -2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3161 1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 1.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1154 1.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7985 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 2.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0982 2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1444 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1977 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1154 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 -1.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -2.1072 0.0000 C 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 3 11 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 9 12 1 0 0 0 0 7 18 2 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 6 22 1 0 0 0 0 1 29 1 0 0 0 0 16 30 1 0 0 0 0 31 32 1 0 0 0 0 15 31 1 0 0 0 0 33 34 1 0 0 0 0 8 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -0.6791 -0.3920 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 37 M SMT 2 OCH3 M SBV 2 37 -0.8176 0.4721 S SKP 5 ID FL5FDECS0001 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES c(c1)c(OC)c(cc(C(O4)=C(OC)C(=O)c(c42)c(cc(O)c2C(C3O)OC(C)C(C3O)O)O)1)O M END