Mol:FL5FEAGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.5179 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5179 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5947 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5947 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 0.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 -1.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2634 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8304 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8304 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2634 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0740 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9642 1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 -1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0740 -0.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3867 0.2841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9696 -0.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3689 -0.0329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7893 -0.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2104 0.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7360 0.1173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.0509 0.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3633 -0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0247 -0.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5376 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6997 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5275 1.1828 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
1 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
2 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
8 31 1 0 0 0 0
31 32 1 0 0 0 0
27 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 -2.4898 0.5593
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 2.1057 -1.3574
S SKP 8
ID FL5FEAGS0004
KNApSAcK_ID C00005313
NAME 6-Hydroxykaempferol 3-methyl ether 7-glucoside
CAS_RN 76060-26-9
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES C(O4)(=C(C(c(c43)c(O)c(O)c(c3)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)=O)OC)c(c1)ccc(c1)O
M END
