Mol:FL2FAANI0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -2.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -2.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9628 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9628 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5189 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 0.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 1.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 2.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 2.4396 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 28 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 S SKP 8 ID FL2FAANI0010 KNApSAcK_ID C00008272 NAME Flemiflavanone D CAS_RN 81656-59-9 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(c12)(C(CC(c(c3)cc(CC(C(C)(C)4)O4)c(O)c3)O2)=O)c(cc(O)c1CC=C(C)C)O M END