Mol:FL2F1CNI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.1300 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 -0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 0.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 -0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 1.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6859 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 -1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.9255 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 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 7 17 2 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 15 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 20 26 1 0 0 0 0 26 18 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL2F1CNI0002 KNApSAcK_ID C00008286 NAME Ovaliflavanone D CAS_RN 75680-30-7 FORMULA C26H28O5 EXACTMASS 420.193674006 AVERAGEMASS 420.49752 SMILES c(c4)(O1)c(cc(c4)C(C3)Oc(c(CC=C(C)C)2)c(C3=O)cc(CC=C(C)C)c(O)2)OC1 M END
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