Mol:FL4DAAGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.5021 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7876 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7876 0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5021 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3557 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3557 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -2.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1509 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1509 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2335 0.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9981 -1.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3266 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7876 -2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5916 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 0.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4116 1.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3266 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 0.0514 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 18 23 1 0 0 0 0 S SKP 5 ID FL4DAAGS0007 FORMULA C21H22O10 EXACTMASS 434.121296924 AVERAGEMASS 434.39338 SMILES c(c4)c(ccc(O)4)C(C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)1)O M END