Mol:FLIDHYNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 0 0 0 0 0 0999 V2000 -2.2828 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -0.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0576 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0576 0.8251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6139 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6122 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6401 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 1.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 0.7337 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 8 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 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 0.4985 1.1462 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -2.6401 1.4439 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 1.9256 -1.0314 S SKP 8 ID FLIDHYNS0001 KNApSAcK_ID C00010004 NAME 6-Methoxyhomopterocarpin;(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan CAS_RN 90686-11-6 FORMULA C18H18O5 EXACTMASS 314.115423686 AVERAGEMASS 314.33252 SMILES O(C2OC)c(c(C(O4)C2c(c43)ccc(OC)c3)1)cc(OC)cc1 M END