Mol:FLIA2CGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 -1.4949 0.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 0.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9384 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 -1.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 0.7175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2526 0.2605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7540 0.4544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2344 0.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6225 0.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 0.6264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0440 0.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 -0.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4683 -0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6118 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6118 -0.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4014 1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3872 1.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 -0.7749 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 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 16 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 17 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 10 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 35 M SMT 2 CH2OH M SVB 2 35 -3.4014 1.3534 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 OCH3 M SVB 1 37 -1.6529 0.0501 S SKP 8 ID FLIA2CGS0001 KNApSAcK_ID C00010097 NAME Fujikinetin 7-O-glucoside CAS_RN 38965-67-2 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES O(C=3)c(c1)c(C(=O)C3c(c5)cc(O4)c(c5)OC4)cc(OC)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 M END