Mol:FL3FAEGS0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -0.6474 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6474 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 0.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 0.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 0.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 -1.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8462 0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8462 1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -1.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 0.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4813 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2212 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 1.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2026 0.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0892 0.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5189 0.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3614 -0.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 -0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1649 -1.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0101 -1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 -1.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 -0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4025 -1.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5837 -1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7887 -1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4368 -2.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 1.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 2.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0892 1.4146 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 3 18 1 0 0 0 0 19 1 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 28 1 0 0 0 0 23 19 1 0 0 0 0 16 39 1 0 0 0 0 40 41 1 0 0 0 0 25 40 1 0 0 0 0 42 43 1 0 0 0 0 15 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 0.8072 -0.6927 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 OCH3 M SBV 2 47 -0.7120 -0.4110 S SKP 5 ID FL3FAEGS0011 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES C(C(O)4)(C(OC(O5)C(O)C(C(C5C)O)O)C(OC4CO)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3O)OC)c1O)O M END
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