Mol:FL3FCDGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5170 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5170 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5170 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5170 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0659 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0659 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3851 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3851 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3851 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3851 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0659 0.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0659 0.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8362 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8362 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2873 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2873 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2873 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2873 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8362 0.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8362 0.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0079 -0.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0079 -0.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7382 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7382 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1979 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1979 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6576 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6576 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6576 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6576 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1979 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1979 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7382 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7382 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6576 1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6576 1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0659 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0659 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5340 -1.1503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.5340 -1.1503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.0184 -1.8309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0184 -1.8309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2759 -1.5422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2759 -1.5422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.5594 -1.5344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.5594 -1.5344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0801 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0801 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7297 -1.3565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.7297 -1.3565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.2478 -1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2478 -1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8222 -1.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8222 -1.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8505 -2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8505 -2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9347 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9347 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8884 -0.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8884 -0.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4277 2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4277 2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8162 3.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8162 3.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8742 1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8742 1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3742 2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3742 2.1393 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 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 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 29 30 | + | M SAL 3 2 29 30 |
| − | M SBL 3 1 32 | + | M SBL 3 1 32 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 32 -1.9347 -0.4314 | + | M SVB 3 32 -1.9347 -0.4314 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 -0.8742 1.2733 | + | M SVB 2 36 -0.8742 1.2733 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 2.4277 2.2563 | + | M SVB 1 34 2.4277 2.2563 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCDGS0002 | + | ID FL3FCDGS0002 |
| − | KNApSAcK_ID C00004370 | + | KNApSAcK_ID C00004370 |
| − | NAME Luteolin 7,3'-dimethyl ether 5-glucoside | + | NAME Luteolin 7,3'-dimethyl ether 5-glucoside |
| − | CAS_RN 83133-15-7 | + | CAS_RN 83133-15-7 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 | + | SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.5170 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5170 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0659 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3851 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3851 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0659 0.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8362 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2873 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2873 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8362 0.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0079 -0.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7382 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6576 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6576 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7382 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6576 1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0659 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -1.1503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0184 -1.8309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2759 -1.5422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5594 -1.5344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0801 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7297 -1.3565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2478 -1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 -1.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8505 -2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9347 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8884 -0.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4277 2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8162 3.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3742 2.1393 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
18 15 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
25 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
1 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 32
M SMT 3 CH2OH
M SVB 3 32 -1.9347 -0.4314
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 -0.8742 1.2733
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 2.4277 2.2563
S SKP 8
ID FL3FCDGS0002
KNApSAcK_ID C00004370
NAME Luteolin 7,3'-dimethyl ether 5-glucoside
CAS_RN 83133-15-7
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1
M END
