Mol:FL3FALNI0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -1.0751 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7895 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7895 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7895 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 0.4125 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 18 14 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 12 22 1 0 0 0 0 18 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 19 29 1 0 0 0 0 S SKP 8 ID FL3FALNI0021 KNApSAcK_ID C00013422 NAME Artoindonesianin Q;2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 502718-00-5 FORMULA C22H22O7 EXACTMASS 398.136553058 AVERAGEMASS 398.40588 SMILES C(C)(C)=CCC(C2=O)=C(Oc(c3)c2c(cc3OC)O)c(c1O)cc(O)c(OC)c1 M END