Mol:FL2FA8NS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.8627 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9952 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9952 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 0.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 1.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 0.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 -2.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 -0.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 -1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -2.4601 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 20 25 1 0 0 0 0 S SKP 8 ID FL2FA8NS0011 KNApSAcK_ID C00014130 NAME 5,7,2',5'-Tetramethoxyflavanone CAS_RN 85486-95-9 FORMULA C19H20O6 EXACTMASS 344.125988372 AVERAGEMASS 344.3585 SMILES c(c(C(O2)CC(c(c(OC)3)c2cc(OC)c3)=O)1)(OC)ccc(OC)c1 M END