Mol:FL63ACGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -4.0353 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7498 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3326 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1298 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4182 1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 1.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9245 2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7498 1.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5694 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -0.1460 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 1 18 1 0 0 0 0 8 19 1 1 0 0 0 3 20 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 17 1 0 0 0 0 15 30 1 0 0 0 0 31 32 1 0 0 0 0 24 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 CH2OH M SBV 1 35 -0.8097 -0.0881 S SKP 5 ID FL63ACGS0020 FORMULA C21H24O11 EXACTMASS 452.13186161 AVERAGEMASS 452.40866 SMILES c(c(O)4)c(c(c(c4)1)CC(C(c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)O1)O)O M END