Mol:FL2FCEGS0002
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 |
| − | -2.4614 0.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4614 0.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7488 1.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7488 1.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4582 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4582 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7415 -0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7415 -0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 -0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 -0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0325 0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0325 0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3125 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3125 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4001 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4001 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3964 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3964 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3199 1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3199 1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0502 1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0502 1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7663 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7663 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4791 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4791 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4760 1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4760 1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7599 2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7599 2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0470 1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0470 1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3115 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3115 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0869 1.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0869 1.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7415 -1.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7415 -1.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1227 0.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1227 0.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1070 2.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1070 2.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7445 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7445 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7445 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7445 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2560 -1.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2560 -1.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0687 -1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0687 -1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1450 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1450 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6295 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6295 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8167 -0.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8167 -0.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7403 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7403 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1361 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1361 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7117 -1.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7117 -1.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5449 -2.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5449 -2.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6719 -1.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6719 -1.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6878 -1.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6878 -1.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 20 1 0 0 0 0 | + | 27 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCEGS0002 | + | ID FL2FCEGS0002 |
| − | KNApSAcK_ID C00014347 | + | KNApSAcK_ID C00014347 |
| − | NAME 5,3'-Dihydroxy-7,4'-dimethoxyflavanone 3'-glucoside;Persicogenin 3'-glucoside | + | NAME 5,3'-Dihydroxy-7,4'-dimethoxyflavanone 3'-glucoside;Persicogenin 3'-glucoside |
| − | CAS_RN 164863-05-2 | + | CAS_RN 164863-05-2 |
| − | FORMULA C23H26O11 | + | FORMULA C23H26O11 |
| − | EXACTMASS 478.147511674 | + | EXACTMASS 478.147511674 |
| − | AVERAGEMASS 478.44594 | + | AVERAGEMASS 478.44594 |
| − | SMILES OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)C1O | + | SMILES OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)C1O |
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
-2.4614 0.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7488 1.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4582 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 -0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 -0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0325 0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3125 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4001 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3964 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3199 1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0502 1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7663 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4791 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4760 1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7599 2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0470 1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3115 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0869 1.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 -1.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1227 0.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1070 2.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7445 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7445 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2560 -1.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0687 -1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1450 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6295 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8167 -0.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7403 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1361 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7117 -1.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5449 -2.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6719 -1.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6878 -1.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
13 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 20 1 0 0 0 0
S SKP 8
ID FL2FCEGS0002
KNApSAcK_ID C00014347
NAME 5,3'-Dihydroxy-7,4'-dimethoxyflavanone 3'-glucoside;Persicogenin 3'-glucoside
CAS_RN 164863-05-2
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)C1O
M END
