Mol:FL4D1ANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.6419 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6419 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1210 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1210 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6001 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6001 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6001 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6001 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1210 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1210 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6419 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6419 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0792 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0792 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5583 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5583 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5583 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5583 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0792 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0792 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0380 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0380 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0792 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0792 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4964 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4964 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0307 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0307 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0307 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0307 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4964 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4964 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0380 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0380 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1623 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1623 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0380 -1.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0380 -1.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1210 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1210 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6414 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6414 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6414 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6414 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1617 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1617 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1210 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1210 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5642 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5642 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5642 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5642 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0977 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0977 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6300 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6300 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1623 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1623 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6300 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6300 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4D1ANI0001 | + | ID FL4D1ANI0001 |
| − | KNApSAcK_ID C00008611 | + | KNApSAcK_ID C00008611 |
| − | NAME 3-Hydroxyglabrol | + | NAME 3-Hydroxyglabrol |
| − | CAS_RN 74148-41-7 | + | CAS_RN 74148-41-7 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES C(=C(C)C)Cc(c3O)c(c(cc3)2)OC(C(C2=O)O)c(c1)cc(CC=C(C)C)c(c1)O | + | SMILES C(=C(C)C)Cc(c3O)c(c(cc3)2)OC(C(C2=O)O)c(c1)cc(CC=C(C)C)c(c1)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/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.6419 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6001 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6001 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6419 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5583 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5583 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0307 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0307 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1623 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 -1.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1617 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0977 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1623 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 1 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
15 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL4D1ANI0001
KNApSAcK_ID C00008611
NAME 3-Hydroxyglabrol
CAS_RN 74148-41-7
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(=C(C)C)Cc(c3O)c(c(cc3)2)OC(C(C2=O)O)c(c1)cc(CC=C(C)C)c(c1)O
M END
