Mol:FL6F1CNP0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.5560 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4434 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4434 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3308 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3308 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2253 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2253 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9263 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 0.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9261 -0.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -0.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 -0.1762 0.0000 C 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 1 17 1 0 0 0 0 18 14 1 0 0 0 0 15 19 1 0 0 0 0 13 20 1 0 0 0 0 16 21 1 0 0 0 0 21 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 20 26 1 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 20 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 S SKP 8 ID FL6F1CNP0003 KNApSAcK_ID C00008790 NAME Broussoflavan A CAS_RN 160262-53-3 FORMULA C25H30O6 EXACTMASS 426.204238692 AVERAGEMASS 426.5021 SMILES C(C1)C(c(c3CC=C(C)C)cc(C(O)4)c(OC(C4O)(C)C)c(O)3)Oc(c2)c(ccc(O)2)1 M END
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