Mol:FLIAECNS0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.6997 -0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -0.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7744 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 -1.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 -1.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5611 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7274 -1.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 -2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6527 -2.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3476 -2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 -1.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6744 -2.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 -2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0152 -0.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -0.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5162 -0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6403 -2.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6063 -3.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 -3.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1632 -3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 -1.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 15 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 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 -2.6398 1.4439 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 2.2825 0.2048 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 1.9253 -1.0314 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.997 0.2742 S SKP 8 ID FLIAECNS0011 KNApSAcK_ID C00009860 NAME Belamcandin;5-Hydroxy-6,7,3',4'-tetramethoxyisoflavone CAS_RN 78134-88-0 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(c3OC)(OC)cc(c(c3O)1)OC=C(c(c2)cc(OC)c(OC)c2)C1=O M END
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