Mol:FL63ACGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.8623 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 0.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 -0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8401 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 -2.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5767 0.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 2.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2167 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7047 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9675 -0.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2562 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4181 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8401 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3159 -0.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 -0.5593 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 4 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 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 17 14 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 1 0 0 0 15 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 19 1 0 0 0 0 S SKP 5 ID FL63ACGS0015 FORMULA C20H22O10 EXACTMASS 422.121296924 AVERAGEMASS 422.38268000000005 SMILES c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)O M END