Mol:FLIAACNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.3394 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2257 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0053 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 14 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 13 31 1 0 0 0 0 S SKP 8 ID FLIAACNI0005 KNApSAcK_ID C00009922 NAME Isoangustone A;5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone CAS_RN 129280-34-8 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(O3)=C(C(=O)c(c32)c(O)c(CC=C(C)C)c(c2)O)c(c1)cc(c(c1O)O)CC=C(C)C M END