Mol:FL5FACGL0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.9158 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9158 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3594 0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8031 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8031 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3594 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2468 0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6905 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6905 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2468 1.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2468 -0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1344 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9995 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9995 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 2.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1344 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4718 1.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2964 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3594 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6334 2.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0942 -0.9059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4886 -0.5694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3037 -1.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4886 -1.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0942 -2.2040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0907 -1.5569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0732 -0.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3708 -1.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4300 -3.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1285 0.3963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5709 -0.1877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2080 0.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8227 0.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3760 0.5135 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.8187 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8813 -0.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1396 -0.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9967 -0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 3.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0070 -2.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0067 -2.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4828 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0662 1.4630 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
28 31 1 0 0 0 0
34 39 1 0 0 0 0
16 40 1 0 0 0 0
25 41 1 0 0 0 0
41 42 1 0 0 0 0
35 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 47
M SMT 2 CH2OH
M SVB 2 47 2.7574 0.5051
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 45
M SMT 1 CH2OH
M SVB 1 45 0.0799 -2.6174
S SKP 8
ID FL5FACGL0007
KNApSAcK_ID C00005407
NAME Quercetin 3-galactosyl-(1->2)-glucoside
CAS_RN 152695-31-3
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)O[C@@H](C1O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)O[C@H](CO)[C@@H](C(O)1)O)=O)O
M END
