Mol:FL5F39GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 2.6338 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6338 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3483 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3483 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9194 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9194 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 1.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 1.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1991 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0204 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 -0.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -0.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 -1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 -1.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 -0.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -0.3811 0.0000 C 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 24 29 1 0 0 0 0 23 30 1 0 0 0 0 22 31 1 0 0 0 0 26 18 1 0 0 0 0 S SKP 5 ID FL5F39GS0001 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES c(c1)ccc(C(O4)=C(C(c(c43)ccc(c(OC)3)OC(O2)C(C(C(O)C2C)O)O)=O)O)c1 M END