Mol:FL1C19NI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1205 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1205 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1205 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1205 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5642 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5642 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0079 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0079 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0079 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0079 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5642 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5642 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5484 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5484 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1047 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1047 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6608 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6608 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2169 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2169 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7779 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7779 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3389 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3389 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3389 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3389 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7779 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7779 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2169 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2169 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5484 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5484 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6766 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6766 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5642 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5642 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6766 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6766 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2315 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2315 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7852 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7852 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3389 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3389 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7852 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7852 -0.9639 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 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C19NI0001 | + | ID FL1C19NI0001 |
| − | KNApSAcK_ID C00007045 | + | KNApSAcK_ID C00007045 |
| − | NAME Isocordoin | + | NAME Isocordoin |
| − | CAS_RN 52601-05-5,51619-57-9,55332-93-9 | + | CAS_RN 52601-05-5,51619-57-9,55332-93-9 |
| − | FORMULA C20H20O3 | + | FORMULA C20H20O3 |
| − | EXACTMASS 308.141244506 | + | EXACTMASS 308.141244506 |
| − | AVERAGEMASS 308.371 | + | AVERAGEMASS 308.371 |
| − | SMILES c(c(C(=O)C=Cc(c2)cccc2)1)cc(O)c(c(O)1)CC=C(C)C | + | SMILES c(c(C(=O)C=Cc(c2)cccc2)1)cc(O)c(c(O)1)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.1205 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1205 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0079 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0079 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5484 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1047 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6608 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7779 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3389 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3389 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7779 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5484 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6766 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6766 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2315 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7852 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3389 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7852 -0.9639 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 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
1 17 1 0 0 0 0
3 18 1 0 0 0 0
2 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
S SKP 8
ID FL1C19NI0001
KNApSAcK_ID C00007045
NAME Isocordoin
CAS_RN 52601-05-5,51619-57-9,55332-93-9
FORMULA C20H20O3
EXACTMASS 308.141244506
AVERAGEMASS 308.371
SMILES c(c(C(=O)C=Cc(c2)cccc2)1)cc(O)c(c(O)1)CC=C(C)C
M END
