Mol:FL1DE9NP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 1.7267 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1915 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1915 0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 -0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 -1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 0.1458 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 7 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 13 24 1 0 0 0 0 12 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SBV 1 27 -5.2932 4.6210 S SKP 8 ID FL1DE9NP0001 KNApSAcK_ID C00008010 NAME Flemistrictin D CAS_RN 84435-30-3 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c(O)2)c(c(O)c(C=3)c2OC(C3)(C)C)C(=O)CCc(c1)cccc1 M END
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