Mol:FL4DA9NI0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -0.8118 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7148 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 -1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3959 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3959 -1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 -0.1995 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 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 S SKP 8 ID FL4DA9NI0005 KNApSAcK_ID C00008749 NAME 3,5,7-Trihydroxy-6-prenylflavanone 3-acetate CAS_RN 89648-70-4 FORMULA C22H22O6 EXACTMASS 382.141638436 AVERAGEMASS 382.40648000000004 SMILES C(=O)(c23)C(C(Oc2cc(O)c(CC=C(C)C)c3O)c(c1)cccc1)OC(C)=O M END
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