Mol:FL6FCFGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.3359 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8179 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8179 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2181 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7361 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7361 0.2381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2181 0.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 -1.2086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6497 -1.6986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1152 -1.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5994 -1.4852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9742 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 -1.3571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6118 -1.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -2.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 -2.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5932 -0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 2.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 1.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 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 17 18 1 1 0 0 0 18 19 1 1 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 26 3 1 0 0 0 0 22 27 1 0 0 0 0 27 28 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 14 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 27 28 M SBL 4 1 30 M SMT 4 CH2OH M SVB 4 30 -2.6372 -0.5068 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 33 34 M SBL 3 1 36 M SMT 3 OCH3 M SVB 3 36 2.8202 1.4414 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 2.0371 2.0049 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 -1.6931 0.8568 S SKP 8 ID FL6FCFGS0001 KNApSAcK_ID C00008769 NAME Dichotosinin CAS_RN 89294-56-4 FORMULA C24H30O10 EXACTMASS 478.18389718 AVERAGEMASS 478.48900000000003 SMILES c(c1)(c(ccc1C(O2)CCc(c(O[C@@H]([C@H]4O)OC([C@H](O)[C@@H]4O)CO)3)c2cc(c3)OC)OC)OC M END
</pre>