Mol:FL5FADGL0027
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -1.2046 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 0.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 0.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4346 -0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -1.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2262 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7969 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -2.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8821 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -2.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4936 -2.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1579 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -0.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8137 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 -0.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8835 -0.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 -0.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4384 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7481 -1.4556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -2.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 -3.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 -3.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 1.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4479 0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6895 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2407 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0436 0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5216 0.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0366 0.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6317 1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8821 1.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0689 2.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 3.7660 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 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 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 19 1 0 0 0 0 42 15 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 18 1 0 0 0 0 52 53 1 0 0 0 0 48 52 1 0 0 0 0 54 55 1 0 0 0 0 16 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 ^ CH2OH M SBV 1 58 0.5881 -0.5347 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 60 M SMT 2 OCH3 M SBV 2 60 0.0075 -0.7146 S SKP 5 ID FL5FADGL0027 FORMULA C34H42O21 EXACTMASS 786.2218584059999 AVERAGEMASS 786.68468 SMILES C(=C(c(c6)cc(c(c6)O)OC)3)(OC(O4)C(C(O)C(C4COC(C5O)OC(C)C(C5O)O)O)O)C(=O)c(c1O)c(O3)cc(OC(C2O)OC(C(C(O)2)O)CO)c1 M END
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