Mol:FL5FACGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -3.4077 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4077 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -1.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 -1.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9241 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4646 -1.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8178 -1.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 -0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1923 -1.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1923 0.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 2.2881 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 9 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 6 31 1 0 0 0 0 16 32 1 0 0 0 0 S SKP 5 ID FL5FACGM0001 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2C3=O)c(C)c(O)cc2O)c(c1)cc(c(O)c1)O M END