Mol:FL2FBCGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.5181 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9955 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8227 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6844 0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 -0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 0.3584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 0.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8821 1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3163 -1.6758 0.0000 C 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 1 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 7 17 2 0 0 0 0 2 18 1 0 0 0 0 19 1 1 0 0 0 0 15 20 1 0 0 0 0 14 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 19 25 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 22 30 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 3 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 ^CH2OH M SBV 1 34 -6.3599 6.9410 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 OCH3 M SBV 2 36 -6.7048 6.1146 S SKP 8 ID FL2FBCGM0001 KNApSAcK_ID C00008313 NAME 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside CAS_RN 85687-89-4 FORMULA C23H26O11 EXACTMASS 478.147511674 AVERAGEMASS 478.44594 SMILES c(c2OC)(C)c(cc(O3)c2C(CC3c(c4)ccc(c4O)O)=O)OC(C(O)1)OC(CO)C(C1O)O M END