Mol:FL5FACNSS003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6400 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6400 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6400 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6400 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0837 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0837 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5274 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5274 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5274 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5274 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0837 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0837 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9711 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9711 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4148 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4148 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4148 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4148 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9711 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9711 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9711 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9711 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1413 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1413 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7083 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7083 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2753 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2753 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2753 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2753 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7083 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7083 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1413 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1413 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0837 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0837 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8421 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8421 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1413 -0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1413 -0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1556 0.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1556 0.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1556 0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1556 0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5163 0.1985 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5163 0.1985 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5163 0.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5163 0.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5163 -0.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5163 -0.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8751 0.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8751 0.1985 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 26 14 1 0 0 0 0 | + | 26 14 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNSS003 | + | ID FL5FACNSS003 |
| − | KNApSAcK_ID C00004958 | + | KNApSAcK_ID C00004958 |
| − | NAME Quercetin 3'-O-sulfate | + | NAME Quercetin 3'-O-sulfate |
| − | CAS_RN 62369-28-2 | + | CAS_RN 62369-28-2 |
| − | FORMULA C15H10O10S | + | FORMULA C15H10O10S |
| − | EXACTMASS 381.99946723 | + | EXACTMASS 381.99946723 |
| − | AVERAGEMASS 382.2999 | + | AVERAGEMASS 382.2999 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=O | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.6400 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0837 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0837 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9711 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4148 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4148 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9711 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9711 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1413 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7083 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2753 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2753 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7083 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1413 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0837 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8421 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1413 -0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1556 0.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1556 0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5163 0.1985 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5163 0.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5163 -0.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8751 0.1985 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
15 19 1 0 0 0 0
8 20 1 0 0 0 0
21 1 1 0 0 0 0
23 24 2 0 0 0 0
23 25 2 0 0 0 0
22 23 1 0 0 0 0
23 26 1 0 0 0 0
26 14 1 0 0 0 0
S SKP 8
ID FL5FACNSS003
KNApSAcK_ID C00004958
NAME Quercetin 3'-O-sulfate
CAS_RN 62369-28-2
FORMULA C15H10O10S
EXACTMASS 381.99946723
AVERAGEMASS 382.2999
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=O
M END
