Mol:FL1DHXGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.5006 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 -2.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 -1.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6657 -1.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3327 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 -2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 -0.2045 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 4 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 5 17 1 0 0 0 0 1 19 1 0 0 0 0 13 18 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 8 31 1 0 0 0 0 23 31 1 0 0 0 0 S SKP 8 ID FL1DHXGS0001 KNApSAcK_ID C00014634 NAME Licoagroside F;4,2',4',alpha-Tetrahydroxydihydrochalcone alpha-O-glucoside CAS_RN 464198-33-2 FORMULA C21H24O10 EXACTMASS 436.136946988 AVERAGEMASS 436.40926 SMILES c(C(C(Cc(c3)ccc(O)c3)OC(O2)C(O)C(O)C(O)C2CO)=O)(c1)c(O)cc(O)c1 M END