Mol:FL3FECNSS009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8736 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8736 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8736 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8736 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4225 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4225 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9715 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9715 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9715 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9715 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4225 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4225 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5204 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5204 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0693 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0693 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0693 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0693 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5204 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5204 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5204 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5204 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3816 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3816 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8413 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8413 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3010 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3010 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3010 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3010 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8413 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8413 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3816 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3816 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4225 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4225 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3884 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3884 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3884 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3884 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8725 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8725 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3884 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3884 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0698 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0698 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9223 0.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9223 0.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6029 0.6451 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6029 0.6451 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6029 -0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6029 -0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3454 0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3454 0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6029 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6029 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6309 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6309 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3454 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3454 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1027 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1027 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8172 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8172 0.9556 0.0000 C 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 2 0 0 0 0 | + | 20 23 2 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 2 0 0 0 0 | + | 25 28 2 0 0 0 0 |
| − | 24 15 1 0 0 0 0 | + | 24 15 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 31 -7.0570 3.4136 | + | M SBV 1 31 -7.0570 3.4136 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 33 -6.0382 4.5910 | + | M SBV 2 33 -6.0382 4.5910 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNSS009 | + | ID FL3FECNSS009 |
| − | KNApSAcK_ID C00004412 | + | KNApSAcK_ID C00004412 |
| − | NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate | + | NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate |
| − | CAS_RN 111509-39-8 | + | CAS_RN 111509-39-8 |
| − | FORMULA C17H14O13S2 | + | FORMULA C17H14O13S2 |
| − | EXACTMASS 489.987581914 | + | EXACTMASS 489.987581914 |
| − | AVERAGEMASS 490.41726 | + | AVERAGEMASS 490.41726 |
| − | SMILES COc(c1)c(ccc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)c2OS(O)(=O)=O)OS(O)(=O)=O | + | SMILES COc(c1)c(ccc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)c2OS(O)(=O)=O)OS(O)(=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.8736 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8736 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4225 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9715 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9715 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4225 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5204 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0693 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0693 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5204 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5204 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3816 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3010 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3010 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3816 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4225 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0698 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 0.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6029 0.6451 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6029 -0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3454 0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6029 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6309 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3454 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1027 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8172 0.9556 0.0000 C 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
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
20 23 2 0 0 0 0
1 19 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
25 28 2 0 0 0 0
24 15 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 ^OCH3
M SBV 1 31 -7.0570 3.4136
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 33
M SMT 2 OCH3
M SBV 2 33 -6.0382 4.5910
S SKP 8
ID FL3FECNSS009
KNApSAcK_ID C00004412
NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate
CAS_RN 111509-39-8
FORMULA C17H14O13S2
EXACTMASS 489.987581914
AVERAGEMASS 490.41726
SMILES COc(c1)c(ccc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)c2OS(O)(=O)=O)OS(O)(=O)=O
M END
