Mol:FL7AAGGO0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.6076 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4642 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4642 0.1865 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.9644 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9644 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 -2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -1.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9459 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 -0.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 -0.2339 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 15 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 21 8 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 21 1 0 0 0 0 13 31 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGS0001 FORMULA C20H19O11 EXACTMASS 435.09273645 AVERAGEMASS 435.35826000000003 SMILES C(O1)(Oc(c(c(c4)cc(O)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O M END