Mol:FL1CUNNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 22 0 0 0 0 0 0 0 0999 V2000 -1.8787 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8787 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6086 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6086 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1764 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 1.3051 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 1 1 0 0 0 0 5 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 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 17 2 0 0 0 0 17 12 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 1 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 18 19 M SBL 1 1 19 M SMT 1 ^OCH3 M SBV 1 19 -6.1519 4.0370 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 21 M SMT 2 ^OCH3 M SBV 2 21 -5.7197 4.7907 S SKP 8 ID FL1CUNNS0001 KNApSAcK_ID C00007167 NAME Linderone CAS_RN 1782-79-2 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COC(C(=O)1)=C(OC)C(=O)C(=C(O)C=Cc(c2)cccc2)1 M END