Mol:FL3FCACS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.9194 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 0.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 0.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 -2.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6939 1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2517 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6956 1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 2.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5993 0.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 1.4979 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 3 11 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 9 12 1 0 0 0 0 15 18 1 0 0 0 0 7 19 2 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 20 26 1 0 0 0 0 21 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 6 23 1 0 0 0 0 30 31 1 0 0 0 0 1 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 ^ OCH3 M SBV 1 34 0.6799 -0.4311 S SKP 5 ID FL3FCACS0005 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES C(=C4)(Oc(c(C4=O)2)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)c(c1)ccc(c1)O M END
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