Mol:FLIA1ANP0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.8886 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8927 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8927 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 -1.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 -1.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 -2.2056 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 5 1 0 0 0 0 8 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 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 2.3198 -1.4118 S SKP 8 ID FLIA1ANP0003 KNApSAcK_ID C00009433 NAME Calopogoniumisoflavone A CAS_RN 31273-64-0 FORMULA C21H18O4 EXACTMASS 334.120509064 AVERAGEMASS 334.36521999999997 SMILES c(c4)c(ccc(OC)4)C(C(=O)3)=COc(c32)c(c(cc2)1)C=CC(C)(C)O1 M END
</pre>