Mol:FL4DG9NS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.1323 -0.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -1.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7034 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0165 -1.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 -0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8082 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 0.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 1.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -2.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -1.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 0.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 1.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 -0.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4003 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 -1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 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 4 18 1 0 0 0 0 8 19 1 0 0 0 0 13 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 3 1 0 0 0 0 S SKP 8 ID FL4DG9NS0001 KNApSAcK_ID C00014373 NAME Plumbaginol;3,5,3'-Trihydroxy-8,5'-dimethyoxy-6,7-methylenedioxyflavanone CAS_RN 155521-00-9 FORMULA C18H16O9 EXACTMASS 376.07943210999997 AVERAGEMASS 376.31424 SMILES O(C(c(c4)cc(OC)cc(O)4)3)c(c2OC)c(C(C3O)=O)c(c(c21)OCO1)O M END
</pre>