Mol:FL1CA9NP0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0507 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0507 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0507 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0507 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6070 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6070 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1633 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1633 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1633 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1633 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6070 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6070 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7937 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7937 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3501 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3501 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2377 -0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2377 -0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3233 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3233 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2377 -1.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2377 -1.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3233 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3233 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8759 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8759 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4286 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4286 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4286 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4286 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8759 -0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8759 -0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8759 -1.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8759 -1.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5338 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5338 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9812 -0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9812 -0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0864 -0.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0864 -0.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9811 0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9811 0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2292 0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2292 0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5338 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5338 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1633 0.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1633 0.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0016 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0016 1.0401 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 |
| − | 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0001 | + | ID FL1CA9NP0001 |
| − | KNApSAcK_ID C00007079 | + | KNApSAcK_ID C00007079 |
| − | NAME Helikrausichalcone | + | NAME Helikrausichalcone |
| − | CAS_RN 122585-71-1 | + | CAS_RN 122585-71-1 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES c(c3)ccc(c3)C=CC(=O)c(c(O)2)c(O)cc(c21)OC(C)(C)C(O)C1 | + | SMILES c(c3)ccc(c3)C=CC(=O)c(c(O)2)c(O)cc(c21)OC(C)(C)C(O)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
2.0507 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0507 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1633 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1633 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7937 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3501 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2377 -0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3233 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2377 -1.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3233 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4286 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4286 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 -0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 -1.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9812 -0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0864 -0.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9811 0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2292 0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1633 0.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0016 1.0401 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
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
17 16 1 0 0 0 0
18 19 1 0 0 0 0
19 15 1 0 0 0 0
18 20 1 0 0 0 0
14 21 1 0 0 0 0
12 22 1 0 0 0 0
21 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL1CA9NP0001
KNApSAcK_ID C00007079
NAME Helikrausichalcone
CAS_RN 122585-71-1
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES c(c3)ccc(c3)C=CC(=O)c(c(O)2)c(O)cc(c21)OC(C)(C)C(O)C1
M END
