Mol:FL2FAAGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.5056 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0767 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0767 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5229 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5229 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 -2.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2201 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 -0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 0.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 1.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2728 2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 1.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 1.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2511 0.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 7 17 2 0 0 0 0 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 22 18 1 0 0 0 0 S SKP 5 ID FL2FAAGS0007 FORMULA C21H22O9 EXACTMASS 418.126382302 AVERAGEMASS 418.39398 SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)c1 M END