Mol:FL1C29NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 3.2189 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3315 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3315 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0857 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9686 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9686 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1366 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1366 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4407 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0396 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2352 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3315 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 1.2848 0.0000 O 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 13 30 1 0 0 0 0 S SKP 8 ID FL1C29NP0002 KNApSAcK_ID C00007127 NAME Flemiwallichin F CAS_RN 96657-93-1 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES C(c(c3)cccc3)=CC(c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C)=O M END