Mol:FL3FECGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.3373 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3373 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0915 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0915 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -0.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 -2.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1837 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -2.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8131 2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5377 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0359 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2225 1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5049 0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5288 2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9349 2.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 -1.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -2.8670 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 7 19 2 0 0 0 0 14 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 18 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 22 29 1 0 0 0 0 21 30 1 0 0 0 0 13 31 1 0 0 0 0 32 33 1 0 0 0 0 2 32 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 36 M SMT 1 ^ OCH3 M SBV 1 36 0.6730 0.4282 S SKP 5 ID FL3FECGS0001 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O M END