Mol:FL3FAACS0068
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 38 42 0 0 0 0 0 0 0 0999 V2000 2.0532 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0532 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1294 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1294 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2293 0.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 -1.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 -1.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 1.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5899 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5038 -2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2261 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 -0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 -1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 -2.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9993 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 2.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 2.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 1.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.8366 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 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 2 0 0 0 0 5 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 25 24 1 1 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 30 31 1 0 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 24 15 1 0 0 0 0 33 13 1 0 0 0 0 S SKP 5 ID FL3FAACS0068 FORMULA C25H26O13 EXACTMASS 534.137340918 AVERAGEMASS 534.46614 SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O M END
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