Mol:FL5FF8NSH001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.6027 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3991 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3991 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 -1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 1.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 1.6318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 -1.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4598 1.2974 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 2 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 3 17 1 0 0 0 0 7 18 2 0 0 0 0 16 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 8 23 1 0 0 0 0 23 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -1.9599 0.4313 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 0.542 -0.9716 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -0.8522 0.6584 S SKP 8 ID FL5FF8NSH001 KNApSAcK_ID C00001026 NAME Chlorflavonin CAS_RN 23363-64-6 FORMULA C18H15ClO7 EXACTMASS 378.050630544 AVERAGEMASS 378.76019999999994 SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c(O)3)cccc3Cl)=C2OC)1)O M END
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