Mol:FL3FADNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6384 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 1.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 1.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8176 1.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9933 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 1.3299 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 3 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 25 15 1 0 0 0 0 16 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 29 M SMT 1 OCH3 M SBV 1 29 -7.2083 4.4200 S SKP 8 ID FL3FADNP0001 KNApSAcK_ID C00004058 NAME Racemoflavone CAS_RN 106055-12-3 FORMULA C21H18O6 EXACTMASS 366.110338308 AVERAGEMASS 366.36402 SMILES O(c21)C(c(c4)cc(c(O)c4)OC)=CC(=O)c(c(O)cc(O3)c2C=CC(C)(C)3)1 M END