Mol:FL3FCAGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-3.4136 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4136 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9625 -1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5114 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5114 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9625 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0604 -1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6093 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6093 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0604 -0.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8887 -1.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1584 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6987 -0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2390 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2390 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6987 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1584 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2206 0.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4994 1.0929 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1117 0.4214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8572 0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6072 0.4214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9949 1.0929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2494 0.8799 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7794 0.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0394 1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4963 1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0088 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8338 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1194 0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8338 0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7708 0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2707 1.0736 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
15 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 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
18 20 1 0 0 0 0
3 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
30 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 30 31
M SBL 3 1 33
M SMT 3 CH2OH
M SVB 3 33 3.1194 0.4482
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -3.7708 0.2075
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -3.0088 -1.7779
S SKP 8
ID FL3FCAGS0004
KNApSAcK_ID C00004215
NAME Apigenin 5,7-dimethyl ether 4'-galactoside
CAS_RN 60372-13-6
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES O(C)c(c4)c(C3=O)c(cc4OC)OC(=C3)c(c1)ccc(O[C@@H](C(O)2)O[C@H](CO)[C@H](O)C2O)c1
M END
