Mol:FLID1LNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -2.1830 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 0.1647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0422 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0422 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2047 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -1.4494 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 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 13 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 0.7757 -1.0369 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 1.4902 1.0922 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 2.0248 -0.7282 S SKP 8 ID FLID1LNS0002 KNApSAcK_ID C00009631 NAME 9-O-Methylphilenopteran;3-Hydroxy-7,9,10-trimethoxypterocarpan CAS_RN 22356-05-4 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES c(c1OC)(OC)cc(c(C24)c(OC(c(c3OC4)ccc(O)c3)2)1)OC M END