Mol:FL5FACGA0034
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-2.1763 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1763 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0637 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0637 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 0.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6050 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1719 1.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7389 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7389 2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1719 2.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6050 2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6713 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6626 0.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1719 3.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2522 -0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7939 -0.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 -1.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2522 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 -1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0593 0.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5709 -1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0225 -1.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 -2.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1541 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1541 -0.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 -3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 -3.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5427 -2.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6546 -3.6109 0.0000 C 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
24 21 1 0 0 0 0
30 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL5FACGA0034
KNApSAcK_ID C00005953
NAME Quercetin 3-(3'',6''-diacetylgalactoside)
CAS_RN 146018-88-4
FORMULA C25H24O14
EXACTMASS 548.116605476
AVERAGEMASS 548.44966
SMILES OC(C4OC(C)=O)C(COC(C)=O)OC(C(O)4)OC(C1=O)=C(c(c3)cc(c(c3)O)O)Oc(c2)c1c(O)cc2O
M END
