Mol:FL2F1LNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6416 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6416 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1207 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1207 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5999 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5999 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5999 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5999 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1207 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1207 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6416 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6416 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0790 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0790 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5581 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5581 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5581 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5581 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0790 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0790 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0377 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0377 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0790 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0790 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4966 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4966 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0310 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0310 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0310 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0310 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4966 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4966 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0377 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0377 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1625 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1625 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5645 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5645 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0979 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0979 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6302 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6302 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1625 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1625 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6302 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6302 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1207 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1207 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6411 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6411 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6411 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6411 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1615 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1615 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1207 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1207 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5712 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5712 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5654 0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5654 0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2798 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2798 0.4749 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 14 19 1 0 0 0 0 | + | 14 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 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 17 29 1 0 0 0 0 | + | 17 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -5.3057 4.3398 | + | M SBV 1 32 -5.3057 4.3398 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1LNI0003 | + | ID FL2F1LNI0003 |
| − | KNApSAcK_ID C00008462 | + | KNApSAcK_ID C00008462 |
| − | NAME Euchrenone a8 | + | NAME Euchrenone a8 |
| − | CAS_RN 130252-51-6 | + | CAS_RN 130252-51-6 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES c(c(OC)3)(CC=C(C)C)cc(c(c3)O)C(O2)CC(c(c21)ccc(O)c1CC=C(C)C)=O | + | SMILES c(c(OC)3)(CC=C(C)C)cc(c(c3)O)C(O2)CC(c(c21)ccc(O)c1CC=C(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.6416 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6416 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5581 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5581 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0377 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0310 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0310 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0377 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1625 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0979 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6302 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1625 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6302 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6411 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6411 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1615 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5712 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5654 0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2798 0.4749 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 0 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
14 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
5 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
17 29 1 0 0 0 0
15 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 -5.3057 4.3398
S SKP 8
ID FL2F1LNI0003
KNApSAcK_ID C00008462
NAME Euchrenone a8
CAS_RN 130252-51-6
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES c(c(OC)3)(CC=C(C)C)cc(c(c3)O)C(O2)CC(c(c21)ccc(O)c1CC=C(C)C)=O
M END
