Mol:145c FLID
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -3.5724 2.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 2.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 3.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 3.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 3.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 2.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -2.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -3.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -3.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 1 2 2 0 1 8 1 0 7 9 1 0 7 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 5 17 1 0 10 18 1 0 18 17 1 0 9 12 1 0 14 19 1 0 15 20 1 0 13 21 1 0 21 22 2 0 22 23 1 0 23 19 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 23 30 1 0 S SKP 5 ID 145c FLID FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES CC(C)=CCCC(C)(C=5)Oc(c(O)4)c(C5)c(o1)c(c4)c(C2)c1c(c3)c(cc(O)c3)O2 M END