Mol:FL4DACGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.4539 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0254 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0254 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4539 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 0.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 -2.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0718 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 -1.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 1.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7495 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 -1.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3408 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 -0.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0718 -2.3323 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 6 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 16 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 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 19 1 0 0 0 0 32 33 1 0 0 0 0 26 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 -0.7514 -0.0786 S SKP 5 ID FL4DACGS0008 FORMULA C21H22O12 EXACTMASS 466.111126168 AVERAGEMASS 466.39218 SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O M END