Mol:FL3FALNI0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -1.4323 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5757 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -0.8250 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 22 29 1 0 0 0 0 S SKP 8 ID FL3FALNI0022 KNApSAcK_ID C00013423 NAME Artoindonesianin R;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 502718-02-7 FORMULA C22H22O7 EXACTMASS 398.136553058 AVERAGEMASS 398.40588 SMILES c(c1O)c(cc(O2)c1C(C(CC=C(C)C)=C(c(c(OC)3)cc(O)c(OC)c3)2)=O)O M END