Mol:FL1DA9NC0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0724 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0724 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0724 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0724 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3579 -1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3579 -1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3579 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3579 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3565 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3565 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3565 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3565 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0708 -0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0708 -0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7864 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7864 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5010 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5010 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2152 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2152 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9300 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9300 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9300 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9300 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2157 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2157 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5011 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5011 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2152 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2152 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2157 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2157 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9303 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9303 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9303 3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9303 3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5014 2.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5014 2.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7869 -0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7869 -0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3579 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3579 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0724 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0724 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3579 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3579 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0724 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0724 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7869 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7869 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5014 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5014 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5014 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5014 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2158 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2158 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9303 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9303 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9303 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9303 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2158 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2158 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3565 1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3565 1.0314 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 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 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 17 20 2 0 0 0 0 | + | 17 20 2 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 4 24 1 0 0 0 0 | + | 4 24 1 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 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 2 0 0 0 0 | + | 29 30 2 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 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 24 33 2 0 0 0 0 | + | 24 33 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NC0013 | + | ID FL1DA9NC0013 |
| − | KNApSAcK_ID C00014613 | + | KNApSAcK_ID C00014613 |
| − | NAME Longicaudatin | + | NAME Longicaudatin |
| − | CAS_RN 342882-02-4 | + | CAS_RN 342882-02-4 |
| − | FORMULA C26H22O7 | + | FORMULA C26H22O7 |
| − | EXACTMASS 446.136553058 | + | EXACTMASS 446.136553058 |
| − | AVERAGEMASS 446.44867999999997 | + | AVERAGEMASS 446.44867999999997 |
| − | SMILES C(c(c4)cccc4)CC(=O)c(c3O)c(o1)c(c(c3)OC)cc1c(c2)c(ccc(C(=O)OC)2)O | + | SMILES C(c(c4)cccc4)CC(=O)c(c3O)c(o1)c(c(c3)OC)cc1c(c2)c(ccc(C(=O)OC)2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0724 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 -1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0708 -0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5010 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9300 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9300 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2157 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2157 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9303 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9303 3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5014 2.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7869 -0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7869 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5014 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5014 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9303 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9303 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 1.0314 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
5 9 1 0 0 0 0
8 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
11 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
17 20 2 0 0 0 0
1 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
4 24 1 0 0 0 0
24 25 1 0 0 0 0
25 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 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 27 1 0 0 0 0
24 33 2 0 0 0 0
S SKP 8
ID FL1DA9NC0013
KNApSAcK_ID C00014613
NAME Longicaudatin
CAS_RN 342882-02-4
FORMULA C26H22O7
EXACTMASS 446.136553058
AVERAGEMASS 446.44867999999997
SMILES C(c(c4)cccc4)CC(=O)c(c3O)c(o1)c(c(c3)OC)cc1c(c2)c(ccc(C(=O)OC)2)O
M END
