Mol:FL3FAAGS0048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 0.1147 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1147 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 -0.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1013 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1013 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1127 1.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4574 0.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -0.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -0.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 -1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 -1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4303 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 -0.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 0.8511 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 18 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 26 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 39 M SMT 1 ^CH2OH M SBV 1 39 -6.6891 4.9101 S SKP 8 ID FL3FAAGS0048 KNApSAcK_ID C00004188 NAME Apigenin 7-(2'',3''-diacetylglucoside) CAS_RN 84323-20-6 FORMULA C25H24O12 EXACTMASS 516.126776232 AVERAGEMASS 516.4508599999999 SMILES c(C(=O)2)(c(O)4)c(cc(c4)OC(C(OC(C)=O)3)OC(C(O)C(OC(C)=O)3)CO)OC(=C2)c(c1)ccc(c1)O M END