Mol:FL4DA9NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -1.8965 0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4656 0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2362 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9543 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2544 1.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6829 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 2.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1193 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1129 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2213 -1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6611 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 1.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5606 -2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2767 -2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9281 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1193 1.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 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 8 18 1 1 0 0 0 2 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 3 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 4 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 S SKP 8 ID FL4DA9NP0002 KNApSAcK_ID C00014392 NAME MS II;3-Hydroxy-bis(6'',6''-dimethylpyrano[2'',3'':5,6][2'',3'':7,8]flavanone CAS_RN 182926-99-4 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES C(C(O)4)(=O)c(c12)c(OC(c(c5)cccc5)4)c(C=3)c(OC(C3)(C)C)c1C=CC(C)(C)O2 M END