Mol:FL3FAEGS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.5818 -1.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 -2.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -2.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -2.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -1.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 -2.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 -2.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 -1.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 -1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 -3.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9226 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 -1.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3515 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3515 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9226 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 -1.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -3.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4469 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6457 -2.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4919 -1.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3786 -1.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1876 -1.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1971 -1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -1.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 -2.4186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 -2.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 -1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9851 -0.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2849 3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0397 2.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7562 1.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2849 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6289 3.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0397 3.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9632 0.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 -0.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 -0.7188 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 16 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 26 30 1 0 0 0 0 31 30 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 31 1 0 0 0 0 41 42 1 0 0 0 0 15 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 OCH3 M SBV 1 46 -0.6754 -0.3899 S SKP 5 ID FL3FAEGS0005 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(O)(c13)cc(OC(C4O)OC(COC(O5)C(O)C(C(O)C5)O)C(O)C4O)cc(OC(=CC(=O)3)c(c2)cc(O)c(OC)c2)1 M END
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