Mol:FL4DACGS0029
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8542 0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8542 0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1323 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1323 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8630 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8630 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1485 -0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1485 -0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4312 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4312 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4199 0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4199 0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7164 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7164 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0033 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0033 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0101 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0101 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6981 0.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6981 0.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7502 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7502 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7591 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7591 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4799 2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4799 2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1900 1.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1900 1.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1835 0.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1835 0.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4619 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4619 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7164 -1.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7164 -1.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5641 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5641 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6935 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6935 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8753 0.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8753 0.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8611 2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8611 2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5906 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5906 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5985 -1.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5985 -1.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5906 -0.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5906 -0.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1142 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1142 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0359 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0359 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5985 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5985 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0946 -1.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0946 -1.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0359 -1.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0359 -1.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5641 -2.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5641 -2.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1485 -1.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1485 -1.3225 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 25 28 1 1 0 0 0 | + | 25 28 1 1 0 0 0 |
| − | 26 28 1 1 0 0 0 | + | 26 28 1 1 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 4 31 1 0 0 0 0 | + | 4 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0029 | + | ID FL4DACGS0029 |
| − | FORMULA C20H20O11 | + | FORMULA C20H20O11 |
| − | EXACTMASS 436.100561482 | + | EXACTMASS 436.100561482 |
| − | AVERAGEMASS 436.3662 | + | AVERAGEMASS 436.3662 |
| − | SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O | + | SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.8542 0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1323 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8630 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1485 -0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4312 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4199 0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7164 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0033 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0101 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 0.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7502 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7591 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4799 2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 1.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1835 0.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7164 -1.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5641 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6935 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8753 0.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8611 2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5985 -1.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 -0.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1142 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0359 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5985 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0946 -1.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0359 -1.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5641 -2.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1485 -1.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
27 22 1 0 0 0 0
26 22 1 0 0 0 0
25 27 1 0 0 0 0
27 23 1 0 0 0 0
25 28 1 1 0 0 0
26 28 1 1 0 0 0
22 24 1 0 0 0 0
26 29 1 0 0 0 0
29 30 1 0 0 0 0
19 25 1 0 0 0 0
4 31 1 0 0 0 0
S SKP 5
ID FL4DACGS0029
FORMULA C20H20O11
EXACTMASS 436.100561482
AVERAGEMASS 436.3662
SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O
M END
