Mol:FL3FAACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.8333 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3328 -1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3328 -0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 -1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1685 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1685 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 -0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 -0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3328 -2.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 -0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 -2.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 0.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3383 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 1.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 0.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 1.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4119 2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 -0.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 2.2808 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 7 19 2 0 0 0 0 14 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 6 21 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 22 29 1 0 0 0 0 25 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 -8.3120 3.3569 S SKP 8 ID FL3FAACS0001 KNApSAcK_ID C00001110 NAME Vitexin;8-D-Glucosyl-4',5,7-trihydroxyflavone;Apigenin 8-C-glucoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 3681-93-4 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