Mol:FL5FCEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 1.7862 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 3.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4738 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -3.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4738 -1.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 -2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 -2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1202 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 -3.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 18 23 1 0 0 0 0 21 24 1 0 0 0 0 30 25 1 1 0 0 0 29 25 1 1 0 0 0 28 30 1 1 0 0 0 30 26 1 0 0 0 0 31 28 1 0 0 0 0 29 31 1 0 0 0 0 25 27 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 19 28 1 0 0 0 0 S SKP 5 ID FL5FCEGS0001 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(C(O)2)OC(C2O)CO)OC M END