Mol:FLIHALNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.4742 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4742 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0303 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0303 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 0.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 -0.8602 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 2 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 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 2 17 1 0 0 0 0 1 18 1 0 0 0 0 9 19 2 0 0 0 0 16 20 1 0 0 0 0 14 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 3 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 -6.4234 4.1871 S SKP 8 ID FLIHALNP0001 KNApSAcK_ID C00010041 NAME Isoglycycoumarin CAS_RN 117038-82-1 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES C(=C(c(c4)c(O)cc(O)c4)3)c(c(OC(=O)3)1)c(c(C2)c(OC(C2)(C)C)c1)OC M END