Mol:FL5FBAGA0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.4511 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4511 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8948 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8948 0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 -1.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 0.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0072 0.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7925 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0981 1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0801 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7793 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3578 1.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9398 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2406 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6621 1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 1.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9003 1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6747 1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2118 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7903 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3723 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6731 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0461 -1.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3328 -0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8722 -0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3312 -1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6168 -1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2927 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0072 0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7252 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4397 -1.8455 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
8 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
35 37 1 0 0 0 0
31 19 1 0 0 0 0
22 20 1 0 0 0 0
34 38 1 0 0 0 0
3 39 1 0 0 0 0
39 40 1 0 0 0 0
24 41 1 0 0 0 0
41 42 1 0 0 0 0
33 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 43
M SMT 1 OCH3
M SBV 1 43 -5.9665 3.5319
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 45
M SMT 2 CH2OH
M SBV 2 45 -5.1771 3.7192
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 47
M SMT 3 CH2OH
M SBV 3 47 -5.1771 3.7192
S SKP 8
ID FL5FBAGA0002
KNApSAcK_ID C00005268
NAME Kaempferol 5-methyl ether 3-galactoside-4'-glucoside
CAS_RN 142741-21-7
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES OC(C(CO)5)C(O)C(O)C(O5)OC(=C(c(c4)ccc(c4)OC(O3)C(O)C(O)C(O)C3CO)2)C(=O)c(c1O2)c(cc(O)c1)OC
M END
