Mol:FLIDHXNI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -2.4612 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 0.7521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2359 1.0732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2359 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7905 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1021 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 -0.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3184 3.2003 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 8 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 28 29 M SBL 3 1 31 M SMT 3 OCH3 M SVB 3 31 -2.8184 2.3343 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 2.1039 1.0952 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 1.7467 -0.1409 S SKP 8 ID FLIDHXNI0007 KNApSAcK_ID C00010020 NAME Sphenostylin A;(6aS,11aS)-6a-Hydroxy-3,8,9-trimethoxy-10-prenylpterocarpan CAS_RN 115610-53-2 FORMULA C23H26O6 EXACTMASS 398.172938564 AVERAGEMASS 398.44894 SMILES c(c1)(O4)c(C(O2)C(C4)(O)c(c3)c(c(CC=C(C)C)c(OC)c3OC)2)ccc1OC M END