Mol:FL1CRTNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5040 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5040 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5040 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5040 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0931 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0931 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6823 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6823 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6823 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6823 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0931 0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0931 0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2715 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2715 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8619 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8619 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4534 -0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4534 -0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0450 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0450 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6125 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6125 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1801 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1801 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1801 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1801 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6125 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6125 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0450 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0450 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7242 -0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7242 -0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5442 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5442 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0347 -0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0347 -0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5251 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5251 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5251 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5251 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0347 0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0347 0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5442 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5442 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6125 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6125 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0010 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0010 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3895 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3895 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3895 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3895 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4534 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4534 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0146 -0.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0146 -0.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0347 -1.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0347 -1.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0146 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0146 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0347 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0347 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5040 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5040 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0146 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0146 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0548 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0548 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2522 0.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2522 0.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6897 1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6897 1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0606 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0606 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6125 -1.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6125 -1.1828 0.0000 O 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 9 27 2 0 0 0 0 | + | 9 27 2 0 0 0 0 |
| − | 16 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 18 29 1 0 0 0 0 | + | 18 29 1 0 0 0 0 |
| − | 20 30 1 0 0 0 0 | + | 20 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 28 33 2 0 0 0 0 | + | 28 33 2 0 0 0 0 |
| − | 22 34 1 0 0 0 0 | + | 22 34 1 0 0 0 0 |
| − | 13 35 1 0 0 0 0 | + | 13 35 1 0 0 0 0 |
| − | 25 36 1 1 0 0 0 | + | 25 36 1 1 0 0 0 |
| − | 25 37 1 6 0 0 0 | + | 25 37 1 6 0 0 0 |
| − | 11 38 1 0 0 0 0 | + | 11 38 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CRTNP0001 | + | ID FL1CRTNP0001 |
| − | KNApSAcK_ID C00002708 | + | KNApSAcK_ID C00002708 |
| − | NAME Rottlerin | + | NAME Rottlerin |
| − | CAS_RN 82-08-6 | + | CAS_RN 82-08-6 |
| − | FORMULA C30H28O8 | + | FORMULA C30H28O8 |
| − | EXACTMASS 516.178417872 | + | EXACTMASS 516.178417872 |
| − | AVERAGEMASS 516.5385200000001 | + | AVERAGEMASS 516.5385200000001 |
| − | SMILES c(C(C)=O)(c(O)1)c(O)c(Cc(c(O)3)c(O)c(C(=O)C=Cc(c4)cccc4)c(c32)OC(C)(C)C=C2)c(O)c1C | + | SMILES c(C(C)=O)(c(O)1)c(O)c(Cc(c(O)3)c(O)c(C(=O)C=Cc(c4)cccc4)c(c32)OC(C)(C)C=C2)c(O)c1C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-3.5040 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5040 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0931 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6823 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6823 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0931 0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2715 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8619 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4534 -0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0450 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6125 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1801 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1801 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6125 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0450 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7242 -0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5442 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 -0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5442 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6125 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0010 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4534 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0146 -0.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 -1.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0146 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5040 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0146 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0548 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2522 0.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6897 1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0606 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6125 -1.1828 0.0000 O 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 17 1 0 0 0 0
14 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
9 27 2 0 0 0 0
16 12 1 0 0 0 0
19 28 1 0 0 0 0
18 29 1 0 0 0 0
20 30 1 0 0 0 0
21 31 1 0 0 0 0
28 32 1 0 0 0 0
28 33 2 0 0 0 0
22 34 1 0 0 0 0
13 35 1 0 0 0 0
25 36 1 1 0 0 0
25 37 1 6 0 0 0
11 38 1 0 0 0 0
S SKP 8
ID FL1CRTNP0001
KNApSAcK_ID C00002708
NAME Rottlerin
CAS_RN 82-08-6
FORMULA C30H28O8
EXACTMASS 516.178417872
AVERAGEMASS 516.5385200000001
SMILES c(C(C)=O)(c(O)1)c(O)c(Cc(c(O)3)c(O)c(C(=O)C=Cc(c4)cccc4)c(c32)OC(C)(C)C=C2)c(O)c1C
M END
