Mol:FL1DA9NC0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 2.8570 -4.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 -3.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 -2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 -3.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 -2.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1659 -2.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -4.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 -4.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 -4.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -5.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 -5.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4265 -5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3812 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0157 -4.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 -4.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7594 -2.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -2.5208 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 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 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 10 1 0 0 0 0 3 16 1 0 0 0 0 7 17 2 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 20 25 1 0 0 0 0 1 26 1 0 0 0 0 5 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 0.1854 0.0442 S SKP 8 ID FL1DA9NC0001 KNApSAcK_ID C00000974 NAME Isouvaretin CAS_RN 61463-03-4 FORMULA C23H22O5 EXACTMASS 378.146723814 AVERAGEMASS 378.41778000000005 SMILES COc(c1C(=O)CCc(c3)cccc3)c(Cc(c2)c(ccc2)O)c(O)cc1O M END
</pre>