Mol:FL3FEAGS0034
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -0.9425 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9425 -2.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 -2.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 -2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 -2.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 -1.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 -3.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 -1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0421 -1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7168 -1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7168 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0421 -0.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -3.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6196 -1.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 -0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2534 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2074 -1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2904 -1.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7228 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1947 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4401 -0.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0229 -1.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -1.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0286 0.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 2.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7313 2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2818 1.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2818 0.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6403 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 2.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 3.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 2.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 0.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6606 -2.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 -3.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3914 -0.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4401 -0.6772 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 25 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 30 26 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 34 30 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 23 19 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 44 45 1 0 0 0 0 2 44 1 0 0 0 0 46 47 1 0 0 0 0 15 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 49 M SMT 1 ^ OCH3 M SBV 1 49 0.7180 0.3502 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 46 47 M SBL 2 1 51 M SMT 2 OCH3 M SBV 2 51 -0.6746 -0.3895 S SKP 5 ID FL3FEAGS0034 FORMULA C31H36O16 EXACTMASS 664.200335104 AVERAGEMASS 664.60794 SMILES OC(C(Oc(c(OC)5)cc(c3c(O)5)OC(c(c4)ccc(OC)c4)=CC3=O)2)C(C(O)C(O2)COC(C1OC(C)=O)OC(C)C(O)C(O)1)O M END
</pre>