Mol:FL5FADGS0015
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.4390 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7046 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7046 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7046 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3189 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0471 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0471 1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3189 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 -2.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 -1.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5639 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5639 -1.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0943 -1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0705 -1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8756 -3.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -2.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7636 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0891 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3032 1.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0891 1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7636 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4686 2.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0793 2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3202 1.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4972 0.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0412 2.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 3.6963 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 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 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 33 20 1 0 0 0 0 42 43 1 0 0 0 0 16 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 0.0059 -0.6767 S SKP 5 ID FL5FADGS0015 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES OC(C1Oc(c5)cc(c(c5O)4)OC(=C(C4=O)OC(C3O)OC(C)C(C(O)3)O)c(c2)cc(OC)c(O)c2)C(C(C(O1)C)O)O M END
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