Mol:FL2FE9GS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5141 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1986 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1986 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5109 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5109 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2059 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2059 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9185 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9185 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6348 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6348 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3474 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3474 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3438 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3438 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6275 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6275 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9976 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9976 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7136 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7136 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4265 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4265 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4233 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4233 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7073 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7073 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9944 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9944 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6359 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6359 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1395 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1395 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2059 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2059 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1648 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1648 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9433 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9433 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5307 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5307 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7323 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7323 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9388 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9388 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3514 0.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3514 0.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1498 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1498 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3068 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3068 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7866 1.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7866 1.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4265 0.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4265 0.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9793 0.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9793 0.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9038 -0.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9038 -0.4204 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 3 20 1 0 0 0 0 | + | 3 20 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FE9GS0003 | + | ID FL2FE9GS0003 |
| − | KNApSAcK_ID C00014315 | + | KNApSAcK_ID C00014315 |
| − | NAME (2S)-5,6,7-Trihydroxyflavanone 7-glucoside | + | NAME (2S)-5,6,7-Trihydroxyflavanone 7-glucoside |
| − | CAS_RN 151363-18-7 | + | CAS_RN 151363-18-7 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES C(C1Oc(c2O)cc(O3)c(C(=O)CC(c(c4)cccc4)3)c2O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c2O)cc(O3)c(C(=O)CC(c(c4)cccc4)3)c2O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.5141 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1986 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5109 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2059 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9185 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6348 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3474 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6275 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9976 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7136 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4265 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4233 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7073 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9944 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6359 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2059 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1648 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9433 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5307 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7323 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9388 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3514 0.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1498 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3068 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7866 1.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4265 0.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9793 0.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9038 -0.4204 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 6 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
3 20 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
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 18 1 0 0 0 0
S SKP 8
ID FL2FE9GS0003
KNApSAcK_ID C00014315
NAME (2S)-5,6,7-Trihydroxyflavanone 7-glucoside
CAS_RN 151363-18-7
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES C(C1Oc(c2O)cc(O3)c(C(=O)CC(c(c4)cccc4)3)c2O)(O)C(O)C(O)C(O1)CO
M END
