Mol:FL3FADGS0022
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 3.6269 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6269 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 2.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9124 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4835 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4835 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9124 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 -1.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -1.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7614 2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 0.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7094 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 -1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 -0.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -2.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1626 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2997 -0.4543 0.0000 O 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 18 1 0 0 0 0 40 34 1 1 0 0 0 39 34 1 1 0 0 0 38 40 1 1 0 0 0 34 35 1 0 0 0 0 40 36 1 0 0 0 0 41 38 1 0 0 0 0 37 42 1 0 0 0 0 39 41 1 0 0 0 0 34 37 1 0 0 0 0 38 30 1 0 0 0 0 S SKP 5 ID FL3FADGS0022 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES C(C1OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c53)C(=O)C=C(c(c4)cc(OC)c(c4)O)O3)2)O)(C(CO)(CO1)O)O M END
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