Mol:FL1BAAGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.4028 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4028 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 -0.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0261 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0261 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 0.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4567 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 -0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -0.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 -0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6024 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3914 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0105 0.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8089 0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0856 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6384 0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5629 -0.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 -0.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 -1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 0.7314 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 5 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 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 8 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 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 19 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 9 30 2 0 0 0 0 3 31 1 0 0 0 0 1 32 1 0 0 0 0 32 22 1 0 0 0 0 S SKP 8 ID FL1BAAGS0002 KNApSAcK_ID C00014670 NAME 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 6-beta-D-glucopyranoside;Maesopsin 6-beta-D-glucopyranoside CAS_RN 196102-61-1 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES OC(O1)(Cc(c4)ccc(O)c4)C(c(c(O)3)c1cc(c3)OC(O2)C(O)C(O)C(O)C2CO)=O M END