Mol:FL5FFCNSS001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8804 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8804 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8804 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8804 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3241 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3241 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7678 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7678 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7678 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7678 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3241 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3241 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2115 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2115 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3448 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3448 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3448 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3448 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2115 0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2115 0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2115 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2115 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9009 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9009 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4679 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4679 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0349 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0349 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0349 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0349 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4679 1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4679 1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9009 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9009 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3235 -1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3235 -1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4921 0.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4921 0.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4473 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4473 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4921 1.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4921 1.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9246 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9246 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2446 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2446 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6053 -1.1283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6053 -1.1283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6053 -0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6053 -0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6053 -1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6053 -1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3241 0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3241 0.7778 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNSS001 | + | ID FL5FFCNSS001 |
| − | KNApSAcK_ID C00004987 | + | KNApSAcK_ID C00004987 |
| − | NAME Gossypetin 3-O-sulfate | + | NAME Gossypetin 3-O-sulfate |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C15H10O11S | + | FORMULA C15H10O11S |
| − | EXACTMASS 397.994381852 | + | EXACTMASS 397.994381852 |
| − | AVERAGEMASS 398.2993 | + | AVERAGEMASS 398.2993 |
| − | SMILES Oc(c3)c(O)cc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c1c(O)c(O)c2 | + | SMILES Oc(c3)c(O)cc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c1c(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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.8804 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8804 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3241 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7678 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7678 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3241 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2115 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2115 0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2115 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9009 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4679 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4679 1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9009 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3235 -1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4921 0.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4473 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4921 1.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9246 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2446 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6053 -1.1283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.6053 -0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6053 -1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3241 0.7778 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
18 3 1 0 0 0 0
19 1 1 0 0 0 0
16 20 1 0 0 0 0
21 15 1 0 0 0 0
24 25 2 0 0 0 0
24 26 2 0 0 0 0
23 24 1 0 0 0 0
22 24 1 0 0 0 0
8 22 1 0 0 0 0
6 27 1 0 0 0 0
S SKP 8
ID FL5FFCNSS001
KNApSAcK_ID C00004987
NAME Gossypetin 3-O-sulfate
CAS_RN -
FORMULA C15H10O11S
EXACTMASS 397.994381852
AVERAGEMASS 398.2993
SMILES Oc(c3)c(O)cc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c1c(O)c(O)c2
M END
