Mol:FL5FACGA0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-3.2126 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2126 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6563 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1000 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1000 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6563 0.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5437 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9874 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9874 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5437 0.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5437 -0.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4313 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7026 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7026 1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4313 1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3393 -0.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7061 -0.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3185 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0639 -0.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8139 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2016 -0.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4561 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0210 -0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7249 0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2016 0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 1.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6563 -0.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 0.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4429 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7884 -1.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1605 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8236 -1.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1605 -2.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 2.6186 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
16 36 1 0 0 0 0
S SKP 8
ID FL5FACGA0027
KNApSAcK_ID C00005946
NAME Quercetin 3-(6''-acetylgalactoside)
CAS_RN 94799-71-0
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(C(COC(C)=O)2)O)O)1)cc(c(c1)O)O
M END
