Mol:FL3FAAGS0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -0.5354 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -1.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 1.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2362 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -1.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1135 1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5111 0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8613 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1135 0.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 -0.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -0.0884 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 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 S SKP 5 ID FL3FAAGS0006 FORMULA C20H18O9 EXACTMASS 402.095082174 AVERAGEMASS 402.35152 SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)c1 M END
</pre>