Mol:FL1DHXCS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.5005 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 0.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 0.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -0.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 -1.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 1.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 2.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 1.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4545 0.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 0.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 2.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 2.7685 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 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 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 10 1 0 0 0 0 7 16 2 0 0 0 0 5 17 1 0 0 0 0 1 19 1 0 0 0 0 13 18 1 0 0 0 0 8 20 1 0 0 0 0 14 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 22 30 1 0 0 0 0 6 25 1 0 0 0 0 S SKP 5 ID FL1DHXCS0003 FORMULA C20H22O10 EXACTMASS 422.121296924 AVERAGEMASS 422.38268000000005 SMILES c(c1O)c(CC(O)C(c(c2)c(O)c(C(C(O)3)OCC(O)C3O)c(c2)O)=O)ccc1O M END