Mol:FLIF1LNF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 33 0 0 0 0 0 0 0 0999 V2000 -1.6517 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6517 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -1.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -1.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7514 0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8672 -2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5502 -2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 -1.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8685 2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8296 1.8775 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 1 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 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 11 2 0 0 0 0 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 1 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 S SKP 8 ID FLIF1LNF0005 KNApSAcK_ID C00009572 NAME Isomillettone CAS_RN 22256-05-9 FORMULA C22H18O6 EXACTMASS 378.110338308 AVERAGEMASS 378.37472 SMILES c(c62)(C(C5CO6)C(=O)c(c4O5)ccc(c43)OC(C(C)=C)C3)cc(c(c2)1)OCO1 M END