Mol:FL3FGCNS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -3.0418 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7539 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6791 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8454 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9201 1.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1954 0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1691 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3385 3.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9709 3.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4339 3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 -0.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0245 3.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 4.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 4.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6896 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4456 1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8061 -1.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 -0.8071 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 18 1 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 3 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 -2.7892 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -1.2404 1.0455 S SKP 8 ID FL3FGCNS0013 KNApSAcK_ID C00004004 NAME Linderoflavone A CAS_RN - FORMULA C18H14O8 EXACTMASS 358.068867424 AVERAGEMASS 358.29896 SMILES c(c41)(OCO4)ccc(C(O2)=CC(c(c3O)c2c(c(c3OC)O)OC)=O)c1 M END
