Mol:FL2FAENP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.5135 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 -1.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0487 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 0.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7622 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 1.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 1.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3136 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9343 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 -1.8577 0.0000 O 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 6 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 18 14 1 0 0 0 0 18 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 13 26 1 0 0 0 0 3 27 1 0 0 0 0 S SKP 8 ID FL2FAENP0001 KNApSAcK_ID C00014241 NAME (2S)-5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone CAS_RN 417705-70-5 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES O(c21)C(c(c4)cc(O)c(OC)c4)CC(=O)c(c(O)cc(O3)c2C=CC(C)(C)3)1 M END
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