Mol:FL2FCANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -1.8433 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8424 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8424 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 0.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3420 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1849 -1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2005 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2005 0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 1.6172 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 9 17 1 1 0 0 0 3 18 1 0 0 0 0 7 19 2 0 0 0 0 14 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -2.2005 0.7511 S SKP 8 ID FL2FCANS0001 KNApSAcK_ID C00000999 NAME Sakuranetin CAS_RN 2957-21-3 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C[C@]([H])1c(c2)ccc(O)c2 M END