Mol:FL1DAAGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 36 0 0 0 0 0 0 0 0999 V2000 -2.4680 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -2.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -2.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3899 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3899 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -3.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4485 -0.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1263 -0.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -2.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5767 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6282 1.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 2.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 0.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 0.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0211 2.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 3.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 2.1991 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 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 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 13 31 1 0 0 0 0 27 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 17 23 1 0 0 0 0 S SKP 8 ID FL1DAAGS0004 KNApSAcK_ID C00014628 NAME Phloretin 2'-O-(6''-O-acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(6''-O-acetylglucoside) CAS_RN 307991-34-0 FORMULA C23H26O11 EXACTMASS 478.147511674 AVERAGEMASS 478.44594 SMILES C(O1)(Oc(c(C(=O)CCc(c3)ccc(O)c3)2)cc(O)cc(O)2)C(O)C(C(C(COC(C)=O)1)O)O M END