Mol:FL3FALNP0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4991 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4991 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4991 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4991 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9428 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9428 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3865 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3865 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3865 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3865 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9428 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9428 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8302 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8302 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2739 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2739 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2739 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2739 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8302 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8302 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8302 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8302 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2822 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2822 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8492 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8492 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4162 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4162 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4162 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4162 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8492 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8492 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2822 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2822 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9297 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9297 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9428 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9428 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0554 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0554 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6117 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6117 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6117 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6117 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0554 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0554 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1678 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1678 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6117 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6117 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2822 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2822 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8383 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8383 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3932 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3932 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9481 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9481 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5031 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5031 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0580 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0580 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6129 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6129 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1678 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1678 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6129 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6129 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3932 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3932 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 1.4543 0.0000 O 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 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 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 28 35 1 0 0 0 0 | + | 28 35 1 0 0 0 0 |
| − | 17 36 1 0 0 0 0 | + | 17 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0009 | + | ID FL3FALNP0009 |
| − | KNApSAcK_ID C00004060 | + | KNApSAcK_ID C00004060 |
| − | NAME Rubraflavone D | + | NAME Rubraflavone D |
| − | CAS_RN 54835-66-4 | + | CAS_RN 54835-66-4 |
| − | FORMULA C30H32O6 | + | FORMULA C30H32O6 |
| − | EXACTMASS 488.219888756 | + | EXACTMASS 488.219888756 |
| − | AVERAGEMASS 488.57148 | + | AVERAGEMASS 488.57148 |
| − | SMILES c(c4)(O)ccc(c4O)C(O3)=C(C(=O)c(c32)c(c(c1c2)C=CC(C)(C)O1)O)CC=C(CCC=C(C)C)C | + | SMILES c(c4)(O)ccc(c4O)C(O3)=C(C(=O)c(c32)c(c(c1c2)C=CC(C)(C)O1)O)CC=C(CCC=C(C)C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.4991 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4991 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9428 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3865 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3865 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9428 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2739 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2739 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2822 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4162 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4162 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2822 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9297 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9428 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0554 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6117 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6117 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0554 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1678 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6117 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2822 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8383 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3932 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9481 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5031 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0580 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6129 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1678 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6129 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3932 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 1.4543 0.0000 O 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 15 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
8 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
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
28 35 1 0 0 0 0
17 36 1 0 0 0 0
S SKP 8
ID FL3FALNP0009
KNApSAcK_ID C00004060
NAME Rubraflavone D
CAS_RN 54835-66-4
FORMULA C30H32O6
EXACTMASS 488.219888756
AVERAGEMASS 488.57148
SMILES c(c4)(O)ccc(c4O)C(O3)=C(C(=O)c(c32)c(c(c1c2)C=CC(C)(C)O1)O)CC=C(CCC=C(C)C)C
M END
