Mol:FL5FEANI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.0650 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3621 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0841 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4938 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 -2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3621 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9246 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 21 14 1 0 0 0 0 11 22 1 0 0 0 0 22 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 17 30 1 0 0 0 0 21 31 1 0 0 0 0 S SKP 8 ID FL5FEANI0007 KNApSAcK_ID C00013521 NAME 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one CAS_RN 343337-05-3 FORMULA C23H26O8 EXACTMASS 430.162767808 AVERAGEMASS 430.44774 SMILES C(O3)(=C(C(c(c32)c(OC)c(c(c2)O)OC)=O)O)c(c1)cc(c(OC)c1)CCC(CO)C M END