Mol:FLIAALNI0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.4496 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8933 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8933 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3317 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3317 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8933 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 -0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9277 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.1289 0.0000 O 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 8 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 14 19 1 0 0 0 0 2 20 1 0 0 0 0 13 21 1 0 0 0 0 1 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 21 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 12 31 1 0 0 0 0 S SKP 8 ID FLIAALNI0006 KNApSAcK_ID C00009523 NAME Angustone A;5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone CAS_RN 90686-13-8 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c13)c(c(c(c(C(C(=CO3)c(c2)c(c(c(c2)O)CC=C(C)C)O)=O)1)O)CC=C(C)C)O M END
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