Mol:FL3FAACS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.0665 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 -1.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -1.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -1.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -0.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -2.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 -0.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2648 2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 1.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6135 1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1433 0.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4483 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7829 2.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 2.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2489 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 -0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 0.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 -2.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 1.3377 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 3 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 -6.9666 5.7715 S SKP 8 ID FL3FAACS0006 KNApSAcK_ID C00006097 NAME 8-C-beta-D-Galactopyranosylapigenin CAS_RN 35013-07-1 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC(CO)C(O)C1O M END