Mol:FLND29NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 20 21 0 0 0 0 0 0 0 0999 V2000 -0.9335 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3323 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9335 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2908 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 2.6460 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 2 0 0 0 0 8 3 2 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 2 0 0 0 0 5 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 9 17 2 0 0 0 0 5 18 1 6 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -1.2908 1.78 S SKP 8 ID FLND29NS0002 KNApSAcK_ID C00010252 NAME (S)-4-Methoxydalbergione CAS_RN 2543-95-5 FORMULA C16H14O3 EXACTMASS 254.094294314 AVERAGEMASS 254.28056 SMILES COc(c2)c(=O)cc(c(=O)2)[C@]([H])(C=C)c(c1)cccc1 M END