Mol:FL2FAAGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -3.0959 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0927 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9543 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8447 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7214 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 1.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8476 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9741 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2035 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 1.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 -0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4644 -0.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3619 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 24 23 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 24 27 1 0 0 0 0 23 28 1 0 0 0 0 22 29 1 0 0 0 0 21 30 1 0 0 0 0 25 20 1 0 0 0 0 S SKP 5 ID FL2FAAGS0022 FORMULA C21H22O9 EXACTMASS 418.126382302 AVERAGEMASS 418.39398 SMILES C(Oc(c4)ccc(c4)C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)(O1)C(O)C(O)C(O)C(C)1 M END