Mol:FL3FACCS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -1.6073 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9114 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9114 -0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4804 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4804 -0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4804 -2.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9114 -2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4933 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4933 0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 0.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 -0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5639 0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5639 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9025 1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6246 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2261 1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 1.8221 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 23 30 1 0 0 0 0 22 6 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 17 35 1 0 0 0 0 S SKP 5 ID FL3FACCS0010 FORMULA C23H22O12 EXACTMASS 490.111126168 AVERAGEMASS 490.41358 SMILES O(C(C)=O)CC(O1)C(C(O)C(O)C(c(c42)c(O)cc(O)c2C(=O)C=C(O4)c(c3)ccc(c3O)O)1)O M END