Mol:FL3FAIGS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 0.2181 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2181 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9326 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9326 1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -2.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0687 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 -2.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9326 1.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -0.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6157 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4074 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0687 -1.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 0.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1099 0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0235 -1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 -0.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3406 -1.5703 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 4 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 31 25 1 1 0 0 0 30 25 1 1 0 0 0 29 31 1 1 0 0 0 25 26 1 0 0 0 0 31 27 1 0 0 0 0 32 29 1 0 0 0 0 28 33 1 0 0 0 0 30 32 1 0 0 0 0 25 28 1 0 0 0 0 29 20 1 0 0 0 0 S SKP 5 ID FL3FAIGS0012 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES c(c(OC)4)(c(OC)cc(c4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(O1)C(C(O)(CO)C1)O M END