Mol:FL1CHYNP0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5176 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5176 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5176 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5176 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9613 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9613 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4050 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4050 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4050 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4050 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9613 0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9613 0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8487 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8487 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2924 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2924 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2637 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2637 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8198 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8198 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3808 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3808 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9418 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9418 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9418 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9418 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3808 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3808 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8198 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8198 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8487 -0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8487 -0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2637 -1.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2637 -1.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5026 0.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5026 0.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5026 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5026 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5026 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5026 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0623 -1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0623 -1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0623 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0623 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6208 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6208 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9613 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9613 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5176 1.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5176 1.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0739 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0739 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0739 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0739 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3914 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3914 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6208 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6208 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9613 -0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9613 -0.8850 0.0000 O 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 1 1 0 0 0 0 | + | 27 1 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0004 | + | ID FL1CHYNP0004 |
| − | KNApSAcK_ID C00007008 | + | KNApSAcK_ID C00007008 |
| − | NAME Glyinflanin C | + | NAME Glyinflanin C |
| − | CAS_RN 142750-24-1 | + | CAS_RN 142750-24-1 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(=CCc(c1)c(ccc1C(O)=CC(=O)c(c3O)cc(C=2)c(c3)OC(C2)(C)C)O)(C)C | + | SMILES C(=CCc(c1)c(ccc1C(O)=CC(=O)c(c3O)cc(C=2)c(c3)OC(C2)(C)C)O)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.5176 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5176 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4050 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4050 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8487 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2924 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2637 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8198 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3808 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9418 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9418 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3808 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8198 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8487 -0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2637 -1.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5026 0.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5026 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5026 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0623 -1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0623 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5176 1.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0739 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0739 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3914 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6208 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 -0.8850 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 1 0 0 0 0
13 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 1 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
3 30 1 0 0 0 0
S SKP 8
ID FL1CHYNP0004
KNApSAcK_ID C00007008
NAME Glyinflanin C
CAS_RN 142750-24-1
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(=CCc(c1)c(ccc1C(O)=CC(=O)c(c3O)cc(C=2)c(c3)OC(C2)(C)C)O)(C)C
M END
