Mol:FL5FAAGL0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4422 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4422 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4422 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4422 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7410 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7410 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0398 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0398 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0398 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0398 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7410 1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7410 1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3387 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3387 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6376 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6376 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6376 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6376 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3387 1.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3387 1.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3387 -0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3387 -0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0632 1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0632 1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7777 1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7777 1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4923 1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4923 1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4923 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4923 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7777 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7777 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0632 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0632 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7410 -0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7410 -0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2581 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2581 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7696 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7696 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7091 -1.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7091 -1.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6543 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6543 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1429 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1429 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2034 -1.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2034 -1.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3507 -1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3507 -1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3882 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3882 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8996 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8996 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8392 0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8392 0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7844 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7844 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2730 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2730 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2936 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2936 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0603 0.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0603 0.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9485 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9485 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0013 0.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0013 0.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5798 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5798 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0129 -0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0129 -0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1603 -2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1603 -2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1378 -2.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1378 -2.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6543 -3.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6543 -3.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7279 0.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7279 0.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1429 1.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1429 1.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2066 3.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2066 3.0441 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | 1 41 1 0 0 0 0 | + | 1 41 1 0 0 0 0 |
| − | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0011 | + | ID FL5FAAGL0011 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C4O)OC(C(C(O)4)O)COC(O3)C(C(O)C(O)C3C)O)1)O | + | SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C4O)OC(C(C(O)4)O)COC(O3)C(C(O)C(O)C3C)O)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.4422 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4422 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0398 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0398 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 1.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 -0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0632 1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7777 1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4923 1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4923 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7777 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0632 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 -0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2581 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7696 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7091 -1.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6543 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1429 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2034 -1.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3507 -1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3882 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8996 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8392 0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7844 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2730 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2936 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0603 0.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9485 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0013 0.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5798 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0129 -0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1603 -2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1378 -2.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6543 -3.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7279 0.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1429 1.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 3.0441 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
3 18 1 0 0 0 0
19 20 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 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
S SKP 5
ID FL5FAAGL0011
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C4O)OC(C(C(O)4)O)COC(O3)C(C(O)C(O)C3C)O)1)O
M END
