Mol:FLIAAANP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.4074 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4074 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8178 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8178 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5634 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5634 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1576 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -1.2524 0.0000 O 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 14 25 1 0 0 0 0 S SKP 8 ID FLIAAANP0002 KNApSAcK_ID C00009492 NAME Alpinumisoflavone CAS_RN 34086-50-5 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES c(C3=O)(c2O)c(OC=C3c(c4)ccc(O)c4)cc(c12)OC(C=C1)(C)C M END
</pre>