Mol:FL3FAACS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -2.5211 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 1.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 -2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 2.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3946 1.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7116 1.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 2.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3012 0.9669 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 4 0 0 0 S SKP 5 ID FL3FAACS0004 FORMULA C20H18O9 EXACTMASS 402.095082174 AVERAGEMASS 402.35152 SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)ccc(O)c3)c(c(O)2)C(C(O)1)OCC(O)C1O M END