Mol:FL5FACGA0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 46 0 0 0 0 0 0 0 0999 V2000
-4.4387 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4387 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8824 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3261 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3261 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8824 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7698 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7698 1.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7698 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6574 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0904 0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5234 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5234 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0904 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6574 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5653 -0.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5199 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9076 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1621 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5879 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9756 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2301 -0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2470 -0.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4989 0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9756 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0434 2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8824 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0496 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2168 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5624 -1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5632 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9074 -2.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3057 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0904 2.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0276 -2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7016 -2.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0276 -1.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3756 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0496 -2.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3756 -1.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0276 -2.7755 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
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 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
38 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 2 0 0 0 0
37 43 1 0 0 0 0
S SKP 8
ID FL5FACGA0029
KNApSAcK_ID C00005948
NAME Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
CAS_RN 106915-93-9
FORMULA C27H28O16
EXACTMASS 608.137734848
AVERAGEMASS 608.50162
SMILES OC(C(O)1)C(C(OC1OC(=C2c(c4)ccc(O)c4O)C(c(c(O)3)c(cc(O)c3)O2)=O)COC(=O)CC(CC(O)=O)(C)O)O
M END
