Mol:FL2FACNN0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 -3.3788 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3788 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8162 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8162 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8162 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8581 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0236 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 0.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9683 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 -0.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 4 1 0 0 0 0 11 13 1 6 0 0 0 9 14 2 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 13 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 21 23 1 4 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 18 30 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 20 33 1 4 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -5.8773 6.6012 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 37 M SMT 2 CH2OH M SBV 2 37 -6.2422 5.2084 S SKP 8 ID FL2FACNN0002 KNApSAcK_ID C00008376 NAME Silyhermin CAS_RN 96238-88-9 FORMULA C25H22O9 EXACTMASS 466.126382302 AVERAGEMASS 466.43678 SMILES c(c(O)5)c(O)c(C(=O)1)c(c5)OC(c(c4)cc(C2CO)c(c4O)OC(c(c3)ccc(O)c3OC)2)C1 M END