Mol:FL3FAACS0079
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 0.8732 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8732 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9846 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9846 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 -1.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 -3.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 -3.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0839 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0839 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6946 -1.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -0.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5511 1.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9342 0.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 -1.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3439 2.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 3.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8318 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5531 2.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6991 1.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 3.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9276 3.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 3.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 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 24 7 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 33 36 1 0 0 0 0 32 37 1 0 0 0 0 31 38 1 0 0 0 0 30 39 1 0 0 0 0 34 27 1 0 0 0 0 S SKP 5 ID FL3FAACS0079 FORMULA C26H28O13 EXACTMASS 548.152990982 AVERAGEMASS 548.49272 SMILES C(C(O)1)(C(C(OC(C5O)COC(C5O)c(c4O)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC1C)O)O M END
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