Mol:FL5FBAGA0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.8477 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7351 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7351 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1788 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6225 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6225 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1788 0.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1788 -1.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0664 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5006 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0675 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0675 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5006 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0664 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4038 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0256 -0.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0710 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6834 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4288 -0.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5665 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8210 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3439 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0856 -0.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3305 0.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6343 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7278 -0.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0134 -1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6893 -1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4038 -1.5310 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
30 31 1 0 0 0 0
23 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 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -5.6931 5.5330
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SBV 2 35 -4.7462 5.7198
S SKP 8
ID FL5FBAGA0001
KNApSAcK_ID C00005267
NAME Kaempferol 5-methyl ether 3-galactoside
CAS_RN 28454-84-4
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c4)(ccc(c4)C(O2)=C(C(=O)c(c(OC)3)c2cc(c3)O)OC(O1)C(O)C(C(C(CO)1)O)O)O
M END
