Mol:FL4D1AGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -1.2450 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 -1.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1838 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1838 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -1.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 0.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8581 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8581 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 0.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 -1.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9011 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6589 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4655 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1068 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5632 0.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 -0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0105 -0.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9079 1.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3569 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 1.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 1.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 0.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6568 0.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 1.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 1.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5632 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 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 23 18 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 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 35 38 1 0 0 0 0 38 25 1 0 0 0 0 32 39 1 0 0 0 0 40 41 1 0 0 0 0 15 40 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 OCH3 M SBV 1 45 -0.7251 -0.4186 S SKP 5 ID FL4D1AGS0002 FORMULA C27H32O14 EXACTMASS 580.179205732 AVERAGEMASS 580.53458 SMILES C(C(C(O)2)OC(Oc(c3)cc(O4)c(C(C(C4c(c5)ccc(c5)OC)O)=O)c3)C(C2O)O)OC(O1)C(O)C(C(O)C1)O M END
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