Mol:FL5F1ACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.0665 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -0.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 -0.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2648 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6135 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1433 0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4483 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6394 2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 2.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2489 0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 -2.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0132 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2987 1.0336 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 9 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 8 29 1 0 0 0 0 18 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -7.0310 5.4674 S SKP 8 ID FL5F1ACS0001 KNApSAcK_ID C00006109 NAME 8-C-Glucosyl-5-deoxykaempferol;8-beta-D-Glucopyranosyl-3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 108351-24-2 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES C(C(O)1)(c(c2O)c(O3)c(C(C(O)=C3c(c4)ccc(O)c4)=O)cc2)OC(CO)C(O)C1O M END