Mol:FL7DACGO0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -4.1912 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1912 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4767 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4767 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 0.1865 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.6188 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1095 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1095 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 1.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9055 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4767 -2.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1095 2.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6602 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 1.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0664 1.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2618 0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2577 -0.7026 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 17 1 0 0 0 0 24 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7DACGS0003 FORMULA C21H19O11 EXACTMASS 447.09273645 AVERAGEMASS 447.36896 SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c2)c(cc(c(c4)[o+1]c(c(c4)3)cc(cc3O)O)c2)O)O1)O)O M END