Mol:FL3FBCGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 1.0762 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0762 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 2.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7817 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7817 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 -1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7817 -1.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 2.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 0.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8507 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3627 -1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3736 -0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8616 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3841 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8342 -0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -2.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 -1.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 -1.8756 0.0000 C 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 4 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 21 1 0 0 0 0 19 33 1 0 0 0 0 S SKP 8 ID FL3FBCGS0003 KNApSAcK_ID C00013673 NAME Luteorin 5-methyl ether 3'-glucoside CAS_RN - FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES OC(C4O)C(OC(CO)C4O)Oc(c3O)cc(cc3)C(O1)=CC(c(c2OC)c(cc(c2)O)1)=O M END