Mol:FL6FACGS0002
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 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6807 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6807 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6807 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6807 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9662 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9662 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2517 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2517 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2517 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2517 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9662 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9662 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4629 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4629 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1774 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1774 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4629 1.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4629 1.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8919 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8919 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6123 1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6123 1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3328 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3328 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3328 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3328 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6123 3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6123 3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8919 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8919 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0522 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0522 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3950 1.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3950 1.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6123 4.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6123 4.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5304 -0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5304 -0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0184 -1.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0184 -1.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2811 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2811 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5698 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5698 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0867 -0.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0867 -0.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7317 -0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7317 -0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0522 -0.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0522 -0.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5884 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5884 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4462 -1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4462 -1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9693 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9693 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4462 -2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4462 -2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9879 -2.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9879 -2.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7371 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7371 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7371 -3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7371 -3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0327 -4.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0327 -4.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6718 -3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6718 -3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6718 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6718 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0327 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0327 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3748 -4.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3748 -4.0138 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 29 3 1 0 0 0 0 | + | 29 3 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL6FACGS0002 | + | ID FL6FACGS0002 |
| − | FORMULA C27H26O11 | + | FORMULA C27H26O11 |
| − | EXACTMASS 526.147511674 | + | EXACTMASS 526.147511674 |
| − | AVERAGEMASS 526.48874 | + | AVERAGEMASS 526.48874 |
| − | SMILES C(C(O)2)(C(Oc(c53)cc(O)cc(OC(CC5)c(c4)ccc(c4O)O)3)OCC2O)OC(=O)c(c1)ccc(O)c1 | + | SMILES C(C(O)2)(C(Oc(c53)cc(O)cc(OC(CC5)c(c4)ccc(c4O)O)3)OCC2O)OC(=O)c(c1)ccc(O)c1 |
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 42 0 0 0 0 0 0 0 0999 V2000
-1.6807 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6807 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9662 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2517 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2517 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9662 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4629 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1774 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1774 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4629 1.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8919 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3328 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3328 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8919 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0522 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3950 1.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 4.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5304 -0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0184 -1.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2811 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5698 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0867 -0.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7317 -0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0522 -0.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5884 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4462 -1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9693 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4462 -2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9879 -2.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0327 -4.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 -3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0327 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3748 -4.0138 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
29 3 1 0 0 0 0
28 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
S SKP 5
ID FL6FACGS0002
FORMULA C27H26O11
EXACTMASS 526.147511674
AVERAGEMASS 526.48874
SMILES C(C(O)2)(C(Oc(c53)cc(O)cc(OC(CC5)c(c4)ccc(c4O)O)3)OCC2O)OC(=O)c(c1)ccc(O)c1
M END
