Mol:FL5FECGA0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.1724 -5.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 -5.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 -4.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2670 -3.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3656 -4.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5853 -4.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4867 -3.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0738 -2.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 -2.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7785 -3.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9798 -3.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7477 -1.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8132 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0371 -2.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6163 -2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3920 -5.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5032 -2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9538 -0.7928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5662 -1.4642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3116 -1.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0616 -1.4642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4493 -0.7928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7038 -1.0058 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2267 -0.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9726 -0.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2595 -0.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4560 -0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3121 -4.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8730 -5.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8066 -1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5210 -1.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6537 -1.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6141 -1.6511 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
2 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 2.8066 -1.3752
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 0.6667 1.7877
S SKP 8
ID FL5FECGA0003
KNApSAcK_ID C00005652
NAME Quercetagetin 3'-methyl ether 3-galactoside
CAS_RN 128351-80-4
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES O(C(C3=O)=C(c(c4)cc(OC)c(O)c4)Oc(c23)cc(c(c2O)O)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O
M END
