Mol:FL63AAGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 0.6361 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6361 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7928 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7928 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3506 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3506 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7629 1.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 -1.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1688 0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5812 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5477 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0929 1.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7629 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 0.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3232 -0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 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 1 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 2 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 4 17 1 0 0 0 0 8 19 1 6 0 0 0 14 18 1 0 0 0 0 6 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 17 24 1 0 0 0 0 S SKP 8 ID FL63AAGS0009 KNApSAcK_ID C00013254 NAME Ent-afzelechin-7-O-beta-D-glucopyranoside CAS_RN - FORMULA C21H24O10 EXACTMASS 436.136946988 AVERAGEMASS 436.40926 SMILES Oc(c1)ccc(C(O4)C(O)Cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1 M END