Mol:FL5FACGA0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.9512 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9512 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3949 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8386 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8386 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3949 1.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2822 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7259 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7259 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2822 1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2822 -0.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6029 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0359 1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0359 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6029 2.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0778 -0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0324 0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4201 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3254 -0.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0754 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7176 0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7595 0.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9864 0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 2.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3949 -0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5621 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7043 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0499 -0.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0507 -1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3949 -1.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7932 -2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6029 3.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7932 -2.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 -3.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9726 -2.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9726 -2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 -1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5621 -3.0775 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
35 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 35 1 0 0 0 0
39 42 1 0 0 0 0
S SKP 8
ID FL5FACGA0030
KNApSAcK_ID C00005949
NAME Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
CAS_RN 72672-58-3
FORMULA C28H24O14
EXACTMASS 584.116605476
AVERAGEMASS 584.48176
SMILES c(c1)(O)cc(c(C(=O)3)c1OC(=C(OC(C(O)4)OC(COC(=O)c(c5)ccc(O)c5)C(O)C4O)3)c(c2)ccc(c2O)O)O
M END
