Mol:FL3FECNSS003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0887 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0887 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0887 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0887 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6376 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6376 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1866 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1866 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1866 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1866 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6376 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6376 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2645 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2645 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7156 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7156 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7156 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7156 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2645 -0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2645 -0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2645 -1.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2645 -1.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1665 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1665 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6262 -0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6262 -0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0859 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0859 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0859 0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0859 0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6262 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6262 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1665 0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1665 0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6262 1.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6262 1.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6761 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6761 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6376 -1.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6376 -1.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5388 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5388 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1603 -1.0487 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1603 -1.0487 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1603 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1603 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6761 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6761 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1603 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1603 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6035 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6035 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6035 1.0138 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6035 1.0138 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0876 1.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0876 1.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6035 1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6035 1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2849 1.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2849 1.0138 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 2 0 0 0 0 | + | 22 25 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 2 0 0 0 0 | + | 27 30 2 0 0 0 0 |
| − | 26 1 1 0 0 0 0 | + | 26 1 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNSS003 | + | ID FL3FECNSS003 |
| − | KNApSAcK_ID C00004399 | + | KNApSAcK_ID C00004399 |
| − | NAME 6-Hydroxyluteolin 6,7-disulfate | + | NAME 6-Hydroxyluteolin 6,7-disulfate |
| − | CAS_RN 111509-42-3 | + | CAS_RN 111509-42-3 |
| − | FORMULA C15H10O13S2 | + | FORMULA C15H10O13S2 |
| − | EXACTMASS 461.956281786 | + | EXACTMASS 461.956281786 |
| − | AVERAGEMASS 462.3641 | + | AVERAGEMASS 462.3641 |
| − | SMILES Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OS(O)(=O)=O)c1OS(O)(=O)=O | + | SMILES Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OS(O)(=O)=O)c1OS(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/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.0887 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0887 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1866 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1866 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2645 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2645 -0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2645 -1.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1665 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6262 -0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0859 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0859 0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6262 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1665 0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6262 1.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6761 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 -1.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1603 -1.0487 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.1603 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6761 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1603 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6035 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6035 1.0138 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0876 1.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6035 1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2849 1.0138 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
22 25 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
27 30 2 0 0 0 0
26 1 1 0 0 0 0
S SKP 8
ID FL3FECNSS003
KNApSAcK_ID C00004399
NAME 6-Hydroxyluteolin 6,7-disulfate
CAS_RN 111509-42-3
FORMULA C15H10O13S2
EXACTMASS 461.956281786
AVERAGEMASS 462.3641
SMILES Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OS(O)(=O)=O)c1OS(O)(=O)=O
M END
