Mol:FL2FABGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.9912 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9912 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1214 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1214 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6777 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5828 0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 0.4189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4719 -0.0381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9733 0.1558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4537 0.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8418 0.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 0.3277 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2633 0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 -0.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6065 1.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4908 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 5 1 0 0 0 0 9 11 1 0 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 6 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 18 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 14 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 34 M SMT 2 CH2OH M SVB 2 34 -3.6207 1.0548 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 OCH3 M SVB 1 36 3.4908 1.4543 S SKP 8 ID FL2FABGM0001 KNApSAcK_ID C00008244 NAME Matteucinol 7-O-glucoside CAS_RN 101395-11-3 FORMULA C24H28O10 EXACTMASS 476.168247116 AVERAGEMASS 476.47312 SMILES [C@@H](O)(C1CO)[C@@H]([C@H](O)[C@H](Oc(c4C)c(C)c(O2)c(c(O)4)C(=O)CC2c(c3)ccc(OC)c3)O1)O M END