Mol:FLIAACNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 31 0 0 0 0 0 0 0 0999 V2000 -1.3906 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 -0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 -0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1057 -0.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 1.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -1.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 -1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 1.0727 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 2 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 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 1 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 19 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 2 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 S SKP 8 ID FLIAACNP0002 KNApSAcK_ID C00009503 NAME Robustone CAS_RN 22044-56-0 FORMULA C21H16O6 EXACTMASS 364.094688244 AVERAGEMASS 364.34814 SMILES O(C1)c(c2)c(ccc(C(=C5)C(c(c4O)c(O5)cc(c34)OC(C=C3)(C)C)=O)2)O1 M END