Mol:FL5FEAGS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.9987 1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9987 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 1.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 1.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 1.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9356 1.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9356 2.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 2.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 2.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5729 -0.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 2.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 -0.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 -1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 -2.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9373 -1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 -0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6479 -0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 -0.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -2.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 -2.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4936 -1.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6143 -0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6501 -0.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 1.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2865 2.6276 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 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 8 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 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 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 18 1 0 0 0 0 31 32 1 0 0 0 0 2 31 1 0 0 0 0 33 34 1 0 0 0 0 1 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 0.6155 0.3554 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 0.6576 -0.3797 S SKP 5 ID FL5FEAGS0013 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES OC(C1OC(=C(c(c4)ccc(c4)O)3)C(=O)c(c2O)c(O3)cc(c2OC)OC)C(C(O)C(C)O1)O M END