Mol:FL5FA9NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -0.3692 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 -0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 -0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 0.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7956 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0941 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0941 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 -1.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7613 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8086 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0845 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 5 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 1 2 0 0 0 0 11 12 1 0 0 0 0 3 13 2 0 0 0 0 4 14 1 0 0 0 0 14 15 1 0 0 0 0 12 16 1 0 0 0 0 8 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 9 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 7 23 2 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 2 0 0 0 0 27 7 1 0 0 0 0 S SKP 8 ID FL5FA9NP0002 KNApSAcK_ID C00013532 NAME 3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one CAS_RN 329014-32-6 FORMULA C22H20O5 EXACTMASS 364.13107375 AVERAGEMASS 364.3912 SMILES c(c1)ccc(C(O4)=C(OC)C(=O)c(c42)c(cc(O3)c2C=CC3(C)C)OC)c1 M END