Mol:FL5FALNS0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.4288 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -2.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 1.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 -1.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 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 2 1 0 0 0 0 9 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 4 18 1 0 0 0 0 8 19 1 0 0 0 0 6 20 1 0 0 0 0 14 21 1 0 0 0 0 12 22 1 0 0 0 0 15 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 S SKP 8 ID FL5FALNS0019 KNApSAcK_ID C00013369 NAME 3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone CAS_RN - FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES c(c(OC)1)(OC)cc(c(C(O2)=C(C(c(c(O)3)c2cc(O)c3)=O)O)c1)OC M END