Mol:FL6D1CNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.1684 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 -1.1003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0568 -0.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0568 -0.1368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4995 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7469 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3819 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4633 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 2.6397 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 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 7 17 1 1 0 0 0 8 18 1 1 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 1.4633 1.7424 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -2.2313 0.2334 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 2.3137 1.1662 S SKP 8 ID FL6D1CNS0006 KNApSAcK_ID C00009000 NAME Fisetinidol-4beta-ol 7,3',4'-trimethyl ether CAS_RN 1166-05-8 FORMULA C18H20O6 EXACTMASS 332.125988372 AVERAGEMASS 332.3478 SMILES O(c23)[C@@H]([C@H]([C@H](c2ccc(OC)c3)O)O)c(c1)cc(OC)c(OC)c1 M END