Mol:FL5FACGS0101
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 0.7674 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7674 2.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 1.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2339 1.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 -0.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0738 2.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7674 3.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -2.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 -2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 -1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 -1.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 -1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -1.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 -2.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -2.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2039 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 -2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -2.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4879 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 -2.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 -2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3661 -1.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9462 -0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 -0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0622 -2.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2662 -2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9886 -1.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -3.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 -3.3375 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 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 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 19 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 33 34 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 49 48 1 1 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 53 1 0 0 0 0 48 30 1 0 0 0 0 S SKP 5 ID FL5FACGS0101 FORMULA C35H34O18 EXACTMASS 742.174514284 AVERAGEMASS 742.63366 SMILES C(C(O)1)OC(OCC(C(O)2)OC(OC(C4=O)=C(c(c6)cc(c(c6)O)O)Oc(c5)c4c(cc5O)O)C(OC(=O)C=Cc(c3)ccc(O)c3)C2O)C(O)C1O M END
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