Mol:FL5FDAGS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 0.4048 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 -1.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 -0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 -1.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 -0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 -2.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 -0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -0.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 -2.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 0.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3562 0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5645 0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8158 0.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5645 1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3562 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1051 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9867 3.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5848 2.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 1.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0030 0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9891 -0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0535 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1507 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8068 0.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6253 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2468 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 -0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 -0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0885 0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0151 -1.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 -3.0720 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 3 19 1 0 0 0 0 20 15 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 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 18 1 0 0 0 0 36 40 1 0 0 0 0 22 41 1 0 0 0 0 41 40 1 0 0 0 0 42 43 1 0 0 0 0 8 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 47 M SMT 1 OCH3 M SBV 1 47 -0.8063 0.4655 S SKP 5 ID FL5FDAGS0003 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES OC(C(O)1)C(COC(O5)C(C(C(O)C(C)5)O)O)OC(Oc(c2)cc(O)c(C(=O)3)c2OC(c(c4)ccc(O)c4)=C(OC)3)C(O)1 M END
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