Mol:FL4DA9NM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.6002 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5584 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5584 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6002 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9264 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5918 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5918 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 -1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9353 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -0.5072 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 8 14 1 1 0 0 0 9 15 1 6 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 14 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 1 24 1 0 0 0 0 S SKP 8 ID FL4DA9NM0002 KNApSAcK_ID C00008748 NAME 3,5,7-Trihydroxy-6-methylflavanone 3-acetate CAS_RN 111545-19-8 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(c1O)(C)c(O)cc(O2)c1C(C(C(c(c3)cccc3)2)OC(C)=O)=O M END