Mol:FL4DACGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.4357 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 0.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -2.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 0.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 -1.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3929 1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 -2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1234 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5945 0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4137 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 -0.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 1.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9514 -0.6880 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 16 21 1 0 0 0 0 2 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 18 1 0 0 0 0 S SKP 5 ID FL4DACGS0018 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(C(=O)2)O)C(O)C(O)C(O)C(C)1 M END