Mol:FL5FADGA0001
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 |
| − | -0.0757 -5.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0757 -5.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5570 -5.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5570 -5.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7767 -4.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7767 -4.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3638 -3.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3638 -3.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2689 -4.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2689 -4.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4886 -4.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4886 -4.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5835 -3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5835 -3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1706 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1706 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4621 -2.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4621 -2.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6818 -3.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6818 -3.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0766 -3.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0766 -3.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8748 -2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8748 -2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6509 -1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6509 -1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7164 -1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7164 -1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9404 -2.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9404 -2.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5195 -2.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5195 -2.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2952 -5.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2952 -5.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5999 -2.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5999 -2.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0507 -0.7669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0507 -0.7669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6630 -1.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.6630 -1.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.4085 -1.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4085 -1.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1584 -1.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.1584 -1.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.5462 -0.7669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5462 -0.7669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.8007 -0.9798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8007 -0.9798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3236 -0.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3236 -0.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0695 -0.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0695 -0.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5462 -0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5462 -0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3592 -0.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3592 -0.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4089 -4.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4089 -4.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5570 -1.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5570 -1.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5173 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5173 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7097 -1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7097 -1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4242 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4242 -1.8136 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 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 |
| − | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 2.7097 -1.4011 | + | M SVB 2 36 2.7097 -1.4011 |
| − | 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 0.7636 1.8136 | + | M SVB 1 34 0.7636 1.8136 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGA0001 | + | ID FL5FADGA0001 |
| − | KNApSAcK_ID C00005524 | + | KNApSAcK_ID C00005524 |
| − | NAME Isorhamnetin 3-galactoside | + | NAME Isorhamnetin 3-galactoside |
| − | CAS_RN 6743-92-6 | + | CAS_RN 6743-92-6 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(C(=O)2)(c1O)c(OC(c(c4)cc(OC)c(O)c4)=C2O[C@H](O3)C(O)C([C@H]([C@@H](CO)3)O)O)cc(c1)O | + | SMILES c(C(=O)2)(c1O)c(OC(c(c4)cc(OC)c(O)c4)=C2O[C@H](O3)C(O)C([C@H]([C@@H](CO)3)O)O)cc(c1)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/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.0757 -5.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5570 -5.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7767 -4.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3638 -3.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 -4.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4886 -4.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5835 -3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1706 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4621 -2.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6818 -3.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 -3.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8748 -2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 -1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7164 -1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9404 -2.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5195 -2.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2952 -5.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5999 -2.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0507 -0.7669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6630 -1.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4085 -1.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1584 -1.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5462 -0.7669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8007 -0.9798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3236 -0.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0695 -0.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5462 -0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3592 -0.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4089 -4.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5570 -1.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5173 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7097 -1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4242 -1.8136 0.0000 O 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
23 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 2.7097 -1.4011
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 0.7636 1.8136
S SKP 8
ID FL5FADGA0001
KNApSAcK_ID C00005524
NAME Isorhamnetin 3-galactoside
CAS_RN 6743-92-6
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(C(=O)2)(c1O)c(OC(c(c4)cc(OC)c(O)c4)=C2O[C@H](O3)C(O)C([C@H]([C@@H](CO)3)O)O)cc(c1)O
M END
