Mol:FL3FECGS0029
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0173 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0173 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0173 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0173 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4684 -0.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4684 -0.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9195 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9195 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9195 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9195 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4684 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4684 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3705 -0.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3705 -0.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8216 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8216 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3705 0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3705 0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5422 -1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5422 -1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2725 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2725 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7322 -0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7322 -0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1919 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1919 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1919 0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1919 0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7322 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7322 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2725 0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2725 0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4684 -1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4684 -1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4974 0.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4974 0.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1919 0.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1919 0.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1316 0.0483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1316 0.0483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6160 -0.6324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6160 -0.6324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8735 -0.3436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8735 -0.3436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1570 -0.3359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1570 -0.3359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6777 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6777 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4361 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4361 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.7081 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7081 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4198 -0.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4198 -0.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9944 -0.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9944 -0.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0452 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0452 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1171 1.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1171 1.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9937 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9937 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4147 2.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4147 2.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7400 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7400 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5167 -1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5167 -1.9242 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 2 34 1 0 0 0 0 | + | 2 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 30 31 | + | M SAL 3 2 30 31 |
| − | M SBL 3 1 33 | + | M SBL 3 1 33 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 33 -2.7317 0.7199 | + | M SVB 3 33 -2.7317 0.7199 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 37 -0.74 -1.2944 | + | M SVB 2 37 -0.74 -1.2944 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 2.9937 1.4605 | + | M SVB 1 35 2.9937 1.4605 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0029 | + | ID FL3FECGS0029 |
| − | KNApSAcK_ID C00004410 | + | KNApSAcK_ID C00004410 |
| − | NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-glucoside | + | NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-glucoside |
| − | CAS_RN 25474-11-7 | + | CAS_RN 25474-11-7 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(C=C(O2)c(c1)cc(c(c1)O)OC)=O)O | + | SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(C=C(O2)c(c1)cc(c(c1)O)OC)=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/
35 38 0 0 0 0 0 0 0 0999 V2000
0.0173 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0173 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4684 -0.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4684 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3705 -0.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3705 0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5422 -1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2725 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 -0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1919 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1919 0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2725 0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4684 -1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4974 0.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1919 0.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1316 0.0483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6160 -0.6324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8735 -0.3436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1570 -0.3359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6777 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4361 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7081 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4198 -0.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9944 -0.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0452 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1171 1.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9937 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4147 2.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5167 -1.9242 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
1 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
16 32 1 0 0 0 0
32 33 1 0 0 0 0
2 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 30 31
M SBL 3 1 33
M SMT 3 CH2OH
M SVB 3 33 -2.7317 0.7199
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 37
M SMT 2 OCH3
M SVB 2 37 -0.74 -1.2944
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 2.9937 1.4605
S SKP 8
ID FL3FECGS0029
KNApSAcK_ID C00004410
NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-glucoside
CAS_RN 25474-11-7
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(C=C(O2)c(c1)cc(c(c1)O)OC)=O)O
M END
