Mol:FL3F19NF0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 -0.7652 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0507 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0507 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8072 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8072 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0507 -2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4716 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8072 -0.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3156 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6432 1.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2918 2.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 1.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2133 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 2.0102 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 17 2 0 0 0 0 16 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 5 15 2 0 0 0 0 17 16 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 S SKP 8 ID FL3F19NF0006 KNApSAcK_ID C00013466 NAME (-)-Semiglabrin;Semiglabrin;(7aS,10R,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one CAS_RN 51787-32-7 FORMULA C23H20O6 EXACTMASS 392.125988372 AVERAGEMASS 392.4013 SMILES C(C21)(c(c43)c(ccc(C(C=C(c(c5)cccc5)O4)=O)3)O2)C(C(O1)(C)C)OC(C)=O M END
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