Mol:FL63AEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.4666 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4666 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1811 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1811 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6768 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3492 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3492 2.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6768 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 -0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1811 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 2.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3746 1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8601 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4476 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6495 -1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 -1.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0669 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 -0.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7804 -0.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 -1.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -1.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 -2.2392 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 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 4 17 1 0 0 0 0 8 18 1 1 0 0 0 14 20 1 0 0 0 0 6 19 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 19 26 1 0 0 0 0 S SKP 8 ID FL63AEGS0001 KNApSAcK_ID C00013255 NAME Catechin 5-O-beta-D-glucopyranoside-4'-Me CAS_RN - FORMULA C22H26O11 EXACTMASS 466.147511674 AVERAGEMASS 466.43524 SMILES OC(C4O)C(OC(CO)C4O)Oc(c3)c(C1)c(cc3O)OC(c(c2)ccc(OC)c2O)C1O M END