Mol:FL63ACGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.6289 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6289 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 0.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8543 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5703 0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5703 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8543 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 1.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -1.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0373 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5052 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8577 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0621 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 0.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5897 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1611 -0.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0009 -0.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5492 -0.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 1.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 0.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8907 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6137 -1.4096 0.0000 H 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 0 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 9 17 1 1 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 20 23 1 1 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 21 1 0 0 0 0 23 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 14 29 1 0 0 0 0 13 30 1 0 0 0 0 8 31 1 1 0 0 0 8 32 1 6 0 0 0 S SKP 5 ID FL63ACGS0001 FORMULA C20H20H2O10 EXACTMASS 422.121296924 AVERAGEMASS 422.38268000000005 SMILES C(C3([H])O)c(c(OC([H])3c(c4)cc(c(O)c4)O)1)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)O M END