Mol:FL1C29NP0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | 3.2189 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2189 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2189 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2189 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7752 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7752 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3315 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3315 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3315 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3315 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7752 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7752 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0857 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0857 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6420 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6420 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5296 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5296 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9686 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9686 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5296 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5296 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9686 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9686 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4160 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4160 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1366 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1366 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1366 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1366 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4160 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4160 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4160 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4160 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6893 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6893 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2419 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2419 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2419 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2419 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6893 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6893 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2419 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2419 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8417 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8417 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4407 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4407 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0396 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0396 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6374 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6374 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2352 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2352 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6374 1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6374 1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3315 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3315 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4160 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4160 1.2848 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 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 |
| − | 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 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C29NP0002 | + | ID FL1C29NP0002 |
| − | KNApSAcK_ID C00007127 | + | KNApSAcK_ID C00007127 |
| − | NAME Flemiwallichin F | + | NAME Flemiwallichin F |
| − | CAS_RN 96657-93-1 | + | CAS_RN 96657-93-1 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(c(c3)cccc3)=CC(c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C)=O | + | SMILES C(c(c3)cccc3)=CC(c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C)=O |
M END | M END | ||
| − | |||
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
3.2189 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2189 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7752 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3315 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3315 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7752 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0857 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5296 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9686 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5296 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9686 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1366 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1366 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2419 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2419 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2419 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8417 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0396 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6374 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2352 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6374 1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3315 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 1.2848 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
23 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
26 28 1 0 0 0 0
26 29 1 0 0 0 0
13 30 1 0 0 0 0
S SKP 8
ID FL1C29NP0002
KNApSAcK_ID C00007127
NAME Flemiwallichin F
CAS_RN 96657-93-1
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(c(c3)cccc3)=CC(c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C)=O
M END
