Mol:FL5FAAGS0073
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 3.6034 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6034 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0311 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0311 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4953 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3845 0.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7932 0.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 0.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7482 1.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 1.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8676 0.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 0.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7375 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5587 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5137 0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9934 0.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6331 -0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1861 -0.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 -1.4244 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 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 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 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 32 1 0 0 0 0 25 18 1 0 0 0 0 S SKP 8 ID FL5FAAGS0073 KNApSAcK_ID C00013740 NAME Kaempferol 7-sophoroside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 195621-97-7 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES Oc(c5)ccc(c5)C(=C(O)4)Oc(c1C4=O)cc(OC(O3)C(C(O)C(C(CO)3)O)OC(O2)C(C(O)C(C2CO)O)O)cc1O M END