Mol:FLIAECGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 39 0 0 0 0 0 0 0 0999 V2000 -1.5917 0.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4791 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6537 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6537 0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4791 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6537 -1.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6956 0.7626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3494 0.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8508 0.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3312 0.4937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7193 0.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2286 0.6714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6664 1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -1.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -0.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 0.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3361 2.0031 0.0000 O 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 1 1 0 0 0 0 11 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 17 1 0 0 0 0 10 32 1 0 0 0 0 32 33 1 0 0 0 0 24 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 38 M SMT 2 CH2OH M SVB 2 38 -2.5797 0.9703 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SVB 1 36 -1.7497 0.0952 S SKP 8 ID FLIAECGS0007 KNApSAcK_ID C00010150 NAME Dalspinin 7-O-galactoside CAS_RN 98568-73-1 FORMULA C23H22O12 EXACTMASS 490.111126168 AVERAGEMASS 490.41358 SMILES COc(c4O[C@@H]([C@@H](O)5)OC(CO)[C@@H]([C@@H]5O)O)c(c(C1=O)c(c4)OC=C1c(c3)cc(O2)c(c3)OC2)O M END