Mol:FL5FABNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.3198 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0946 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0946 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0284 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5954 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5954 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0284 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4852 -1.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3196 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1622 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8767 0.7301 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 1 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -7.5651 4.7456 S SKP 8 ID FL5FABNI0001 KNApSAcK_ID C00005004 NAME 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone CAS_RN 128508-12-3 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES c(c3)(ccc(OC)c3)C(O1)=C(C(c(c(O)2)c(c(c(O)c2)C(C)(C)C=C)1)=O)O M END