Mol:FL2FFAGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.4414 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4382 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 -1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -1.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4164 -0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2998 -0.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0702 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 -0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 -2.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0669 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 0.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4207 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 1.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3847 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8787 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7677 2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 2.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1785 1.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 21 25 1 0 0 0 0 S SKP 8 ID FL2FFAGS0002 KNApSAcK_ID C00014330 NAME Isocarthamidin 8-glucoside;5,7,8,4'-Tetrahydroxyflavanone 8-glucoside CAS_RN 164920-57-4 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES c(c3)(O)c(C(=O)2)c(c(OC(C(O)4)OC(CO)C(O)C4O)c3O)OC(C2)c(c1)ccc(O)c1 M END