Mol:FLIFHXNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 32 0 0 0 0 0 0 0 0999 V2000 -1.7464 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 0.5657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4788 1.2080 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0775 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 1.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0351 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4555 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 -0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 -1.4343 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 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 2 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 14 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 0.0672 0.3908 S SKP 8 ID FLIFHXNF0002 KNApSAcK_ID C00009583 NAME 12a-Methoxydolineone CAS_RN 54534-96-2 FORMULA C20H14O7 EXACTMASS 366.073952802 AVERAGEMASS 366.32096 SMILES O=C(C34OC)c(c(OC3COc(c5)c4cc(O6)c(OC6)5)1)cc(c2)c(oc2)c1 M END