Mol:FL4DACGS0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -4.1907 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 0.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5385 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 -0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5385 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8088 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 -1.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 1.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0461 1.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4635 1.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 2.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8088 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 2.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5559 0.0747 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 2 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 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 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 20 1 0 0 0 0 16 31 1 0 0 0 0 32 33 1 0 0 0 0 25 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 CH2OH M SBV 1 36 -0.7410 -0.0508 S SKP 5 ID FL4DACGS0021 FORMULA C21H22O12 EXACTMASS 466.111126168 AVERAGEMASS 466.39218 SMILES c(c1)c(OC(O4)C(O)C(O)C(O)C4CO)c(O)cc1C(C3O)Oc(c2)c(C3=O)c(cc(O)2)O M END