Mol:FL3FCCGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4139 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4139 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4139 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4139 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0372 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0372 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4883 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4883 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4883 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4883 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0372 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0372 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9393 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9393 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3904 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3904 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3904 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3904 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9393 0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9393 0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1110 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1110 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8413 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8413 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3010 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3010 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7607 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7607 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7607 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7607 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3010 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3010 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8413 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8413 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0372 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0372 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3010 2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3010 2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3510 1.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3510 1.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6372 -0.9781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.6372 -0.9781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.1215 -1.6587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1215 -1.6587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.3790 -1.3699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.3790 -1.3699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -1.3622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.6626 -1.3622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1832 -0.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1832 -0.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8328 -1.1843 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.8328 -1.1843 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.3510 -1.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3510 -1.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9253 -1.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9253 -1.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9536 -2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9536 -2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0349 -0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0349 -0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9898 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9898 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7711 1.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7711 1.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2711 1.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2711 1.9815 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 |
| − | 16 19 1 0 0 0 0 | + | 16 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 |
| − | 18 24 1 0 0 0 0 | + | 18 24 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 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 33 -2.0349 -0.29 | + | M SVB 2 33 -2.0349 -0.29 |
| − | 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 -0.7711 1.1155 | + | M SVB 1 35 -0.7711 1.1155 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCCGS0001 | + | ID FL3FCCGS0001 |
| − | KNApSAcK_ID C00004333 | + | KNApSAcK_ID C00004333 |
| − | NAME Luteolin 7-methyl ether 5-glucoside | + | NAME Luteolin 7-methyl ether 5-glucoside |
| − | CAS_RN 83133-14-6 | + | CAS_RN 83133-14-6 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES O(c(c32)cc(OC)cc2OC(c(c4)ccc(c4O)O)=CC3=O)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O | + | SMILES O(c(c32)cc(OC)cc2OC(c(c4)ccc(c4O)O)=CC3=O)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.4139 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4139 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0372 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4883 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4883 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0372 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9393 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3904 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3904 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9393 0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1110 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0372 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3510 1.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6372 -0.9781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1215 -1.6587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3790 -1.3699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6626 -1.3622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1832 -0.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8328 -1.1843 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3510 -1.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9253 -1.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9536 -2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 -0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9898 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7711 1.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2711 1.9815 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
16 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
18 24 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 CH2OH
M SVB 2 33 -2.0349 -0.29
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 -0.7711 1.1155
S SKP 8
ID FL3FCCGS0001
KNApSAcK_ID C00004333
NAME Luteolin 7-methyl ether 5-glucoside
CAS_RN 83133-14-6
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O(c(c32)cc(OC)cc2OC(c(c4)ccc(c4O)O)=CC3=O)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
