Mol:FL5F2CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.3250 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3773 -1.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9071 -2.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9035 -1.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4857 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5417 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0155 -2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8599 -0.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1237 -2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6599 -1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2532 -2.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3103 -2.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 -3.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1807 -2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -2.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3048 -0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3065 -2.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3027 -2.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 -3.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6247 -4.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 -1.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -1.1708 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 16 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 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 -2.9555 -0.7583 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 1.3907 1.6718 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 2.241 1.0956 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 0.183 -1.056 S SKP 8 ID FL5F2CNS0002 KNApSAcK_ID C00004659 NAME Santoflavone CAS_RN 163318-81-8 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES O(c12)C(c(c3)cc(OC)c(OC)c3)=C(C(c1cc(OC)c(O)c2)=O)OC M END
