Mol:FL5FACNSS001
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 |
| − | -1.9626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8500 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8500 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9527 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9527 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9527 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9527 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5195 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5195 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5195 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5195 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0387 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0387 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 -1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 -1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3993 -1.0981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3993 -1.0981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3993 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3993 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3993 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3993 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 1.7816 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 |
| − | 20 1 1 0 0 0 0 | + | 20 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNSS001 | + | ID FL5FACNSS001 |
| − | KNApSAcK_ID C00004956 | + | KNApSAcK_ID C00004956 |
| − | NAME Quercetin 3-O-sulfate | + | NAME Quercetin 3-O-sulfate |
| − | CAS_RN 60889-05-6 | + | CAS_RN 60889-05-6 |
| − | 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(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2 |
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
-1.9626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9527 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9527 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0387 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 -1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3993 -1.0981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3993 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3993 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 1.7816 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
20 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
21 23 1 0 0 0 0
8 22 1 0 0 0 0
16 26 1 0 0 0 0
S SKP 8
ID FL5FACNSS001
KNApSAcK_ID C00004956
NAME Quercetin 3-O-sulfate
CAS_RN 60889-05-6
FORMULA C15H10O10S
EXACTMASS 381.99946723
AVERAGEMASS 382.2999
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2
M END
