Mol:FL3FCKGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 1.5888 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5888 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 1.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8744 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8744 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 -1.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 -1.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 1.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 2.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3558 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9637 -1.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 -2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7531 -2.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 -1.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3273 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -1.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4467 -2.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9997 -2.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 -2.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 2.9941 0.0000 C 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 18 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 19 1 0 0 0 0 21 37 1 0 0 0 0 S SKP 8 ID FL3FCKGS0002 KNApSAcK_ID C00013720 NAME Lethedoside B;Tricetin 7,3',4',5'-trimethyl eter 5-glucoside;5-(beta-D-glucopyranosyloxy)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 221289-29-8 FORMULA C25H28O12 EXACTMASS 520.15807636 AVERAGEMASS 520.48262 SMILES O(C(C4O)OC(CO)C(O)C4O)c(c3)c(c(cc3OC)1)C(=O)C=C(c(c2)cc(OC)c(OC)c2OC)O1 M END