Mol:FL3FAGGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-3.3973 -0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3973 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9462 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4951 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4951 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9462 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0441 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5930 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5930 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0441 0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0441 -1.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1421 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6824 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2227 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2227 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6824 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1421 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9462 -1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8501 0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6824 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2370 0.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2370 -0.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5157 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1280 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 -0.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6235 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0112 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2657 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7957 0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5726 0.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5706 -0.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1356 -0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8501 -0.7420 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 22 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -8.5074 3.5388
S SKP 8
ID FL3FAGGS0003
KNApSAcK_ID C00004453
NAME Tricetin 3'-glucoside
CAS_RN 22149-72-0
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)C=C(c(c2)cc(OC(O3)C(O)C(O)C(O)C3CO)c(O)c(O)2)O1
M END
