Mol:FL3FAACS0092
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 0.9337 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4952 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4952 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 -0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8476 1.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 -2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 -0.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1092 1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3611 1.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 -0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 0.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 2.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3235 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3235 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8476 0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 2 0 0 0 0 1 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 15 18 1 0 0 0 0 10 19 1 0 0 0 0 8 20 1 0 0 0 0 26 21 1 1 0 0 0 25 21 1 1 0 0 0 24 26 1 1 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 25 27 1 0 0 0 0 21 22 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 23 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 7 24 1 0 0 0 0 S SKP 5 ID FL3FAACS0092 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES C(=C2)(Oc(c3C(C4OC(C)=O)OC(C4O)C(O)CO)c(c(O)cc3O)C2=O)c(c1)ccc(c1)O M END