Mol:FLID2ANS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 0 0 0 0 0 0999 V2000 -1.9383 0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3347 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 -0.4378 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1415 -0.2182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2531 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5142 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 -1.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -1.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1827 1.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4518 -2.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2178 -2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 0.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 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 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -2.8184 0.2742 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 2.1039 -1.0314 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.4612 1.4439 S SKP 8 ID FLID2ANS0003 KNApSAcK_ID C00009622 NAME 2-Methoxyhomopterocarpin CAS_RN 56782-49-1 FORMULA C18H18O5 EXACTMASS 314.115423686 AVERAGEMASS 314.33252 SMILES c(c4OC)c(c1cc4OC)C(O3)C(c(c32)ccc(OC)c2)CO1 M END
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