Mol:FL5FACGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.3037 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6025 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9013 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9013 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6025 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -2.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9166 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6311 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6311 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9166 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0046 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9629 -1.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 -1.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 -1.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0046 -1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3456 1.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6025 -2.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9166 2.2455 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 S SKP 5 ID FL5FACGS0004 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O M END