Mol:FL1C1ANF0001
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.0159 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9033 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9033 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3215 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3215 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0044 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1815 -0.9329 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 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 2 1 0 0 0 0 13 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SBV 1 23 -6.0782 3.7225 S SKP 8 ID FL1C1ANF0001 KNApSAcK_ID C00007022 NAME Purpuritenin A CAS_RN 83728-90-9 FORMULA C19H16O3 EXACTMASS 292.109944378 AVERAGEMASS 292.32854 SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=Cc(c1)ccc(C)c1 M END
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