Mol:FL3FEAGS0027
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 |
| − | -1.0358 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0358 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0358 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0358 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5847 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5847 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1337 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1337 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1337 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1337 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5847 1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5847 1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3174 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3174 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7685 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7685 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7685 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7685 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3174 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3174 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4891 -0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4891 -0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6791 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6791 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1388 1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1388 1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1388 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1388 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6791 2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6791 2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4129 -0.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4129 -0.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0250 -2.0347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.0250 -2.0347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.3326 -2.4006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.3326 -2.4006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.8275 -1.8729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.8275 -1.8729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.2350 -1.5888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.2350 -1.5888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.8695 -1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8695 -1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2765 -1.8945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.2765 -1.8945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.7231 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7231 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4584 -2.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4584 -2.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9855 -2.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9855 -2.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1971 -2.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1971 -2.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9647 -1.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9647 -1.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4165 1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4165 1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9302 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9302 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8368 2.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8368 2.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5512 1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5512 1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6506 0.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6506 0.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4725 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4725 0.7019 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 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 29 25 1 0 0 0 0 | + | 29 25 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 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 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 29 | + | M SAL 4 2 25 29 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 CH2OH | + | M SMT 4 CH2OH |
| − | M SVB 4 27 -2.4049 -0.8626 | + | M SVB 4 27 -2.4049 -0.8626 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 34 35 | + | M SAL 3 2 34 35 |
| − | M SBL 3 1 37 | + | M SBL 3 1 37 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 37 -1.6349 0.3909 | + | M SVB 3 37 -1.6349 0.3909 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 2.8368 2.2173 | + | M SVB 2 35 2.8368 2.2173 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -1.4165 1.7641 | + | M SVB 1 33 -1.4165 1.7641 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0027 | + | ID FL3FEAGS0027 |
| − | KNApSAcK_ID C00004243 | + | KNApSAcK_ID C00004243 |
| − | NAME Scutellarein 6,7,4'-trimethyl ether 5-glucoside | + | NAME Scutellarein 6,7,4'-trimethyl ether 5-glucoside |
| − | CAS_RN 57877-95-9 | + | CAS_RN 57877-95-9 |
| − | FORMULA C24H26O11 | + | FORMULA C24H26O11 |
| − | EXACTMASS 490.147511674 | + | EXACTMASS 490.147511674 |
| − | AVERAGEMASS 490.45664 | + | AVERAGEMASS 490.45664 |
| − | SMILES C(=C(c(c4)ccc(c4)OC)1)C(c(c(O[C@H](O3)[C@@H](O)[C@H]([C@@H](O)C(CO)3)O)2)c(cc(c2OC)OC)O1)=O | + | SMILES C(=C(c(c4)ccc(c4)OC)1)C(c(c(O[C@H](O3)[C@@H](O)[C@H]([C@@H](O)C(CO)3)O)2)c(cc(c2OC)OC)O1)=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
-1.0358 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0358 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5847 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1337 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1337 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5847 1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3174 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7685 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7685 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3174 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4891 -0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6791 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1388 1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1388 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6791 2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4129 -0.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0250 -2.0347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3326 -2.4006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8275 -1.8729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2350 -1.5888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8695 -1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2765 -1.8945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7231 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4584 -2.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9855 -2.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1971 -2.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9647 -1.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4165 1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9302 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 2.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5512 1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6506 0.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4725 0.7019 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 3 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
24 25 1 0 0 0 0
19 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
29 25 1 0 0 0 0
22 18 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
15 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 4 SUP
M SLB 1 4 4
M SAL 4 2 25 29
M SBL 4 1 27
M SMT 4 CH2OH
M SVB 4 27 -2.4049 -0.8626
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 OCH3
M SVB 3 37 -1.6349 0.3909
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 2.8368 2.2173
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.4165 1.7641
S SKP 8
ID FL3FEAGS0027
KNApSAcK_ID C00004243
NAME Scutellarein 6,7,4'-trimethyl ether 5-glucoside
CAS_RN 57877-95-9
FORMULA C24H26O11
EXACTMASS 490.147511674
AVERAGEMASS 490.45664
SMILES C(=C(c(c4)ccc(c4)OC)1)C(c(c(O[C@H](O3)[C@@H](O)[C@H]([C@@H](O)C(CO)3)O)2)c(cc(c2OC)OC)O1)=O
M END
