Mol:FL4DDANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.2989 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2572 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2572 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7846 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2637 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8393 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8393 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8188 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7188 0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9072 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6506 -1.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 15 18 1 0 0 0 0 2 19 1 0 0 0 0 6 20 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 1 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 8 31 1 1 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 0.9478 -1.1079 S SKP 8 ID FL4DDANP0001 KNApSAcK_ID C00008623 NAME 3-O-methyllupinifolinol CAS_RN 120211-96-3 FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES CO[C@H]([C@H]3c(c4)ccc(O)c4)C(c(c(O3)1)c(c(C=2)c(OC(C)(C)C2)c(CC=C(C)C)1)O)=O M END