Mol:FL4DABGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.5497 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3451 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3451 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4127 2.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9994 1.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5686 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 -0.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3419 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 -0.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 -0.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 -1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3235 -2.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -1.6028 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 1 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 5 19 1 0 0 0 0 1 20 1 0 0 0 0 7 21 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 8 28 1 0 0 0 0 28 23 1 0 0 0 0 22 29 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 S SKP 5 ID FL4DABGS0002 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES O(C)c(c4)ccc(c4)C(O2)C(C(=O)c(c3O)c2cc(c3)O)OC(C(O)1)OC(C(O)C1O)C(O)=O M END