Mol:FL3FECNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.6890 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8129 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3432 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8736 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8736 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3432 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8129 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0463 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 -0.1649 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 2 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 3 17 1 0 0 0 0 7 18 2 0 0 0 0 14 19 1 0 0 0 0 13 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.4035 -0.3356 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 -2.0463 0.7372 S SKP 8 ID FL3FECNS0001 KNApSAcK_ID C00001033 NAME Cirsiliol CAS_RN 34334-69-5 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)c2 M END