Mol:FL5FACGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0846 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0846 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0846 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0846 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5283 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5283 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9720 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9720 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9720 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9720 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5283 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5283 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4157 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4157 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1406 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1406 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1406 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1406 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4157 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4157 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4157 -0.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4157 -0.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6967 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6967 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2637 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2637 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8306 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8306 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8306 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8306 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2637 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2637 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6967 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6967 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6407 0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6407 0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5283 -1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5283 -1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3150 1.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3150 1.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6967 -0.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6967 -0.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2637 2.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2637 2.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5916 -1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5916 -1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2198 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2198 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0205 -1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0205 -1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2198 -0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2198 -0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5916 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5916 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7909 -0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7909 -0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5612 -0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5612 -0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7530 -2.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7530 -2.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0682 -2.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0682 -2.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6407 -1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6407 -1.6107 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 27 21 1 0 0 0 0 | + | 27 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0006 | + | ID FL5FACGS0006 |
| − | KNApSAcK_ID C00005374 | + | KNApSAcK_ID C00005374 |
| − | NAME Quercitrin;Quercetin 3-O-rhamnopyranoside | + | NAME Quercitrin;Quercetin 3-O-rhamnopyranoside |
| − | CAS_RN 522-12-3 | + | CAS_RN 522-12-3 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)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/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.0846 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0846 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5283 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9720 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9720 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5283 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4157 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1406 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1406 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4157 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4157 -0.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6967 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2637 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2637 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6967 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6407 0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5283 -1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3150 1.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6967 -0.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2637 2.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5916 -1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2198 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0205 -1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2198 -0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5916 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7909 -0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5612 -0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7530 -2.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0682 -2.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6407 -1.6107 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 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 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 21 1 0 0 0 0
S SKP 8
ID FL5FACGS0006
KNApSAcK_ID C00005374
NAME Quercitrin;Quercetin 3-O-rhamnopyranoside
CAS_RN 522-12-3
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1
M END
