Mol:FL2FE9NI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.8475 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8452 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3015 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0123 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0105 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2977 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3015 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8469 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8469 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4658 -1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1521 -1.2004 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 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 1 18 1 0 0 0 0 6 21 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 3 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 S SKP 8 ID FL2FE9NI0001 KNApSAcK_ID C00014159 NAME Agrandol;5,7-Dihydroxy-6-methoxy-8-prenylflavanone CAS_RN 253786-74-2 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c(O)3)c(c(c(c(CC=C(C)C)3)1)C(=O)CC(c(c2)cccc2)O1)O M END
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