Mol:FL3FCAGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 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 -0.4113 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 | + | -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 | + | -2.9625 -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 -0.9321 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 | + | -2.5114 -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 | + | -2.9625 -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 | + | -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 -0.9321 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 | + | -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 | + | -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 | + | -1.8887 -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 | + | -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 | + | -0.6987 -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 -0.1510 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 | + | -0.2390 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 | + | -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 | + | -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 | + | 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 | + | 1.4994 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 | + | 1.1117 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 | + | 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 | + | 2.6072 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 | + | 2.9949 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 | + | 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 | + | 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 | + | 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 | + | 3.4963 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 | + | -3.0088 -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 | + | -3.8338 -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 | + | 3.1194 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 | + | 3.8338 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 | + | -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 | + | -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 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 30 31 | + | M SAL 3 2 30 31 |
| − | M SBL 3 1 33 | + | M SBL 3 1 33 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 33 3.1194 0.4482 | + | M SVB 3 33 3.1194 0.4482 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 -3.7708 0.2075 | + | M SVB 2 35 -3.7708 0.2075 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -3.0088 -1.7779 | + | M SVB 1 31 -3.0088 -1.7779 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCAGS0004 | + | ID FL3FCAGS0004 |
| − | KNApSAcK_ID C00004215 | + | KNApSAcK_ID C00004215 |
| − | NAME Apigenin 5,7-dimethyl ether 4'-galactoside | + | NAME Apigenin 5,7-dimethyl ether 4'-galactoside |
| − | CAS_RN 60372-13-6 | + | CAS_RN 60372-13-6 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | 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 | + | 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 | M END | ||
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Latest revision as of 09:00, 14 March 2009
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
