Mol:FL5FACGS0093
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
1.1147 2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1355 2.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1722 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6752 -1.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8794 -2.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6701 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3771 -2.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4407 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7636 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4285 -0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6107 -0.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2877 -1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3123 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8252 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8648 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2721 -2.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3684 -1.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 19 1 0 0 0 0
36 24 1 0 0 0 0
S SKP 8
ID FL5FACGS0093
KNApSAcK_ID C00013865
NAME Quercetin 3-(2''-acetylgalactoside);3-[(2-O-Acetyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 439266-62-3
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(OC(C)=O)C(O)C(C2CO)O)1)cc(c(c1)O)O
M END
