Mol:FL5FA9NI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.1253 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5684 -0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 0.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 -0.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6814 -0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6814 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 -1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -0.9744 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 7 11 2 0 0 0 0 9 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 18 3 1 0 0 0 0 19 1 1 0 0 0 0 8 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FL5FA9NI0002 KNApSAcK_ID C00004988 NAME 3,5,7-Trihydroxy-6-prenylflavone CAS_RN 51948-71-1 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES C(c(c3O)c(O)cc(c32)OC(=C(C2=O)O)c(c1)cccc1)C=C(C)C M END