Mol:FLID3ANS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -2.1830 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 -0.2762 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0422 0.0450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0422 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 2.4813 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 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -1.3487 1.5816 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 2.0248 -1.1691 S SKP 8 ID FLID3ANS0004 KNApSAcK_ID C00009620 NAME 4-Methoxymedicarpin;3-Hydroxy-4,9-dimethoxypterocarpan CAS_RN 14756-82-2 FORMULA C17H16O5 EXACTMASS 300.099773622 AVERAGEMASS 300.30593999999996 SMILES COc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)c(OC)c(O)c2 M END
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