Mol:FL1AACGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.3551 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3551 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0695 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0695 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 -0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5221 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3909 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 -0.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -1.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7006 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6785 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 0.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1716 0.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2158 1.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5484 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9935 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0385 -0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0695 -1.7104 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 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 15 18 1 0 0 0 0 7 19 2 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 20 1 1 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 20 29 1 0 0 0 0 10 21 1 0 0 0 0 16 30 1 0 0 0 0 6 31 1 0 0 0 0 S SKP 5 ID FL1AACGS0003 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c1O)c(C=c(c(=O)2)oc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C(C)4)3)O)ccc1O M END