Mol:FLID4ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -3.1131 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3063 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 1.3936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8669 1.8857 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4995 1.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7192 1.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6473 2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9709 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 3.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8539 3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0888 3.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1584 -0.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 4.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4935 5.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6604 -0.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4265 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 -1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 6 18 1 0 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 2 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 26 M SMT 3 OCH3 M SVB 3 26 -2.8184 0.1019 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -2.4612 1.2716 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 2.1039 -1.2036 S SKP 8 ID FLID4ANS0001 KNApSAcK_ID C00009633 NAME 4-Hydroxy-2,3,9-trimethoxypterocarpan CAS_RN 56841-82-8 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES c(c4OC)c(c(c(c4OC)O)1)C(O3)C(c(c32)ccc(OC)c2)CO1 M END
