Mol:FL2FDANS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.0735 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1517 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1517 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4046 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4308 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 -1.4262 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 19 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 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 -1.9537 -1.0137 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 -2.4308 0.7291 S SKP 8 ID FL2FDANS0001 KNApSAcK_ID C00008227 NAME Naringenin 5,7-dimethyl ether CAS_RN 72704-06-4 FORMULA C17H16O5 EXACTMASS 300.099773622 AVERAGEMASS 300.30593999999996 SMILES COc(c1)cc(O2)c(C(=O)CC2c(c3)ccc(O)c3)c(OC)1 M END
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