Mol:FLIA1LNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3828 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3828 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3828 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3828 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8265 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8265 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2702 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2702 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2702 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2702 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8265 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8265 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7139 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7139 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1576 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1576 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1576 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1576 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7139 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7139 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3985 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3985 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3985 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3985 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9933 -0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9933 -0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5881 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5881 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5881 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5881 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9933 0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9933 0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7139 -0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7139 -0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9391 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9391 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9933 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9933 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5881 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5881 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1829 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1829 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1829 -0.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1829 -0.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3847 -1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3847 -1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9391 -0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9391 -0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1957 -0.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1957 -0.4369 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 12 25 1 0 0 0 0 | + | 12 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNP0001 | + | ID FLIA1LNP0001 |
| − | KNApSAcK_ID C00009434 | + | KNApSAcK_ID C00009434 |
| − | NAME Glabrone | + | NAME Glabrone |
| − | CAS_RN 60008-02-8 | + | CAS_RN 60008-02-8 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(O)(c4)ccc(c43)C(C(=CO3)c(c2O)ccc(c21)OC(C=C1)(C)C)=O | + | SMILES c(O)(c4)ccc(c43)C(C(=CO3)c(c2O)ccc(c21)OC(C=C1)(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.3828 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3828 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8265 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8265 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7139 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1576 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1576 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7139 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3985 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3985 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 -0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5881 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5881 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7139 -0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9391 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5881 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1829 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1829 -0.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3847 -1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9391 -0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1957 -0.4369 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 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
13 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
12 25 1 0 0 0 0
S SKP 8
ID FLIA1LNP0001
KNApSAcK_ID C00009434
NAME Glabrone
CAS_RN 60008-02-8
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(O)(c4)ccc(c43)C(C(=CO3)c(c2O)ccc(c21)OC(C=C1)(C)C)=O
M END
