Mol:FL3FAACS0077
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 3.0236 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 0.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5946 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5946 -0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0236 -0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1657 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1657 -0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 -1.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2342 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2342 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 1.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8495 1.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3938 -1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8259 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0983 -1.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2738 -1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8416 -0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5693 -1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8794 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 -0.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 -0.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -1.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 -1.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3967 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3923 -0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8049 -0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6033 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7716 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 0.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7444 0.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8495 -0.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0161 -1.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 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 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 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 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 9 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 28 1 0 0 0 0 S SKP 8 ID FL3FAACS0077 KNApSAcK_ID C00014048 NAME 6-C-Galactosylapigenin 6''-O-galactoside;6-(6-O-beta-D-Galactopyranosyl-beta-D-galactopyranosyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 615558-90-2 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(c5)(ccc(c5)C(O1)=CC(c(c2O)c1cc(c(C(O3)C(C(O)C(O)C(COC(C4O)OC(C(C(O)4)O)CO)3)O)2)O)=O)O M END