Mol:FL3FCKNS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.0095 -1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7239 0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4384 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4384 -1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7239 -1.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -1.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 -1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4194 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1339 0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5628 0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5628 0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1339 0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -2.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7239 -2.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 1.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 -0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2232 2.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 0.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8662 -0.3911 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 1 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 2 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 4 19 1 0 0 0 0 6 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 21 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 S SKP 8 ID FL3FCKNS0002 KNApSAcK_ID C00013330 NAME Lethedocin;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one CAS_RN 178664-72-7 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES O(C(c(c3)cc(c(OC)c(O)3)OC)=2)c(c1C(=O)C2)cc(OC)cc1O M END
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