Mol:FL2FE9GS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.5141 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1986 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3474 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3438 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4265 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4233 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7073 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1648 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9433 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5307 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3514 0.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1498 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7866 1.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4265 0.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9793 0.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9038 -0.4204 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 6 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 3 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 18 1 0 0 0 0 S SKP 8 ID FL2FE9GS0003 KNApSAcK_ID C00014315 NAME (2S)-5,6,7-Trihydroxyflavanone 7-glucoside CAS_RN 151363-18-7 FORMULA C21H22O10 EXACTMASS 434.121296924 AVERAGEMASS 434.39338 SMILES C(C1Oc(c2O)cc(O3)c(C(=O)CC(c(c4)cccc4)3)c2O)(O)C(O)C(O)C(O1)CO M END