Mol:FL2FA9NI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5152 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 0.3921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 0.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 1.7329 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 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 9 17 1 1 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 7 20 2 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FL2FA9NI0001 KNApSAcK_ID C00000965 NAME Glabranin CAS_RN 41983-91-9 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES C(c(c3)cccc3)(O2)([H])CC(=O)c(c21)c(cc(O)c1CC=C(C)C)O M END
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