Mol:FL2FACGS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.2447 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6132 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8969 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6927 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9053 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8701 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6544 -0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 -0.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0719 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 -0.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9015 -0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8259 -1.6084 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 1 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 13 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 25 3 1 0 0 0 0 S SKP 8 ID FL2FACGS0012 KNApSAcK_ID C00014333 NAME (2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside CAS_RN 308850-46-6 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES c(c1)c(C(C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)O M END