Mol:FLIB1LNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.6966 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -1.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 -1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 -1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 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 17 2 0 0 0 0 17 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 14 20 1 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 FLIB1LNI0001 KNApSAcK_ID C00002523 NAME (+-)-5-Deoxykievitone CAS_RN 74161-24-3 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES C(c(c1O)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)cc1)C=C(C)C M END
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