Mol:FL3FEAGS0046
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.2279 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5196 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9149 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6251 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3303 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6429 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 -0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 0.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4503 0.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5196 1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 1.5738 0.0000 C 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 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 27 20 1 0 0 0 0 S SKP 5 ID FL3FEAGS0046 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1 M END
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