Mol:FL3FCCNP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4779 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3358 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 1.0313 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 4 18 1 0 0 0 0 6 19 1 0 0 0 0 5 20 1 0 0 0 0 18 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 14 1 0 0 0 0 15 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 3 29 1 0 0 0 0 S SKP 8 ID FL3FCCNP0002 KNApSAcK_ID C00013395 NAME Muxiangrin I;Muxiangrine I;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one CAS_RN 223917-00-8 FORMULA C23H22O6 EXACTMASS 394.141638436 AVERAGEMASS 394.41718000000003 SMILES C(=C1)C(Oc(c(O)4)c(cc(c4)C(=C3)Oc(c(C(=O)3)2)c(C)c(c(C)c2O)OC)1)(C)C M END
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