Mol:FL2FBANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.9563 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9563 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8437 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8437 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 1 2 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 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -7.9574 4.6523 S SKP 8 ID FL2FBANS0001 KNApSAcK_ID C00008225 NAME Naringenin 5-methyl ether CAS_RN 61775-19-7 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(C2)c(c1)ccc(O)c1 M END