Mol:FL2FA9NI0022
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 0.0159 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7939 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2134 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6053 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0127 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0267 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3184 2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 2.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1991 -1.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7796 -1.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4223 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1247 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5547 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5839 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5982 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3338 -2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0267 -1.2215 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 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 18 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL2FA9NI0022 KNApSAcK_ID C00014172 NAME 5-Hydroxy-7-O-nerylflavanone CAS_RN - FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES C(C3=O)C(Oc(c32)cc(OCC=C(CCC=C(C)C)C)cc2O)c(c1)cccc1 M END
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