Mol:FL5FACGL0054
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.7647 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7647 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7647 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7647 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2084 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2084 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6521 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6521 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6521 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6521 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2084 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2084 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0958 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0958 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5395 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5395 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5395 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5395 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0958 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0958 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0958 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0958 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9834 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9834 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4164 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4164 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1506 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1506 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1506 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1506 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4164 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4164 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9834 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9834 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8914 -0.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8914 -0.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1541 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1541 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2336 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2336 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5119 -0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5119 -0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2619 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2619 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6496 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6496 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9041 -0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9041 -0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5730 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5730 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1729 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1729 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2638 -0.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2638 -0.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7174 1.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7174 1.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2084 -0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2084 -0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3756 0.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3756 0.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8908 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8908 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2364 -1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2364 -1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2372 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2372 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5814 -2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5814 -2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9797 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9797 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4164 2.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4164 2.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7016 -2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7016 -2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3756 -2.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3756 -2.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7016 -1.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7016 -1.3099 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 16 36 1 0 0 0 0 | + | 16 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGL0054 | + | ID FL5FACGL0054 |
| − | KNApSAcK_ID C00005956 | + | KNApSAcK_ID C00005956 |
| − | NAME Quercetin 3-(6''-malonylglucoside) | + | NAME Quercetin 3-(6''-malonylglucoside) |
| − | CAS_RN 96862-01-0 | + | CAS_RN 96862-01-0 |
| − | FORMULA C24H22O15 | + | FORMULA C24H22O15 |
| − | EXACTMASS 550.095870034 | + | EXACTMASS 550.095870034 |
| − | AVERAGEMASS 550.42248 | + | AVERAGEMASS 550.42248 |
| − | SMILES O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O | + | SMILES O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-3.7647 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7647 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6521 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6521 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0958 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5395 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5395 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0958 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0958 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9834 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4164 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1506 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1506 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4164 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9834 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 -0.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1541 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2336 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5119 -0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2619 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6496 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9041 -0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5730 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1729 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2638 -0.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7174 1.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 -0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3756 0.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8908 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2364 -1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2372 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5814 -2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9797 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4164 2.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7016 -2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3756 -2.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7016 -1.3099 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
16 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL5FACGL0054
KNApSAcK_ID C00005956
NAME Quercetin 3-(6''-malonylglucoside)
CAS_RN 96862-01-0
FORMULA C24H22O15
EXACTMASS 550.095870034
AVERAGEMASS 550.42248
SMILES O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O
M END
