Mol:FL3FAACS0051
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -1.2210 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9223 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9223 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 -2.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 -2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5099 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5099 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 1.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1081 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -1.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 -1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5189 -0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2341 -1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 -1.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2696 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9559 -0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 -1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2896 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 1.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0364 1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8034 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5463 2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 1.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7446 -0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -0.5118 0.0000 O 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 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 2 23 1 0 0 0 0 1 28 1 0 0 0 0 22 29 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 30 1 1 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 30 38 1 0 0 0 0 6 31 1 0 0 0 0 39 40 1 0 0 0 0 25 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 ^CH2OH M SBV 1 44 0.5105 -0.5516 S SKP 5 ID FL3FAACS0051 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O M END
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