Mol:FLIDHXNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 24 0 0 0 0 0 0 0 0999 V2000 -2.1830 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0422 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0422 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 0.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.6763 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 2.0248 -0.8826 S SKP 8 ID FLIDHXNS0006 KNApSAcK_ID C00009675 NAME 6a-Hydroxymedicarpin;3,6a-Dihydroxy-9-methoxypterocarpan CAS_RN 61135-92-0 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c4)cc(O1)c(c4)C(O)(C2)C1c(c3)c(cc(O)c3)O2 M END