Mol:FL2FACNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9628 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9628 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9628 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9628 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5189 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5189 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 1.9266 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNI0002 | + | ID FL2FACNI0002 |
| − | KNApSAcK_ID C00008317 | + | KNApSAcK_ID C00008317 |
| − | NAME 8-Prenyleriodictyol | + | NAME 8-Prenyleriodictyol |
| − | CAS_RN 80931-11-9 | + | CAS_RN 80931-11-9 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES C(=O)(C2)c(c1OC2c(c3)cc(c(O)c3)O)c(cc(O)c(CC=C(C)C)1)O | + | SMILES C(=O)(C2)c(c1OC2c(c3)cc(c(O)c3)O)c(cc(O)c(CC=C(C)C)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5189 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 1.9266 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL2FACNI0002
KNApSAcK_ID C00008317
NAME 8-Prenyleriodictyol
CAS_RN 80931-11-9
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES C(=O)(C2)c(c1OC2c(c3)cc(c(O)c3)O)c(cc(O)c(CC=C(C)C)1)O
M END
