Mol:FL3FACCS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.5211 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 -1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 -1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 -0.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 -1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -0.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -2.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 -0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 -2.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 -0.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 1.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1029 0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6215 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9385 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1338 2.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 2.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4416 0.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 2.0339 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 15 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 6 24 1 0 0 0 0 16 30 1 0 0 0 0 S SKP 5 ID FL3FACCS0004 FORMULA C20H18O10 EXACTMASS 418.089996796 AVERAGEMASS 418.35092 SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(c(O)2)C(C(O)1)OCC(O)C1O M END