Mol:FL4DA8GS0001
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 |
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| − | -1.3263 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3263 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8054 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8054 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8054 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8054 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3263 1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3263 1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8472 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8472 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2845 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2845 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2364 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2364 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2364 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2364 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2845 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2845 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2845 -0.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2845 -0.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8161 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8161 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3448 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3448 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3448 2.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3448 2.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8161 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8161 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2979 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2979 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7046 -0.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7046 -0.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3263 -0.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3263 -0.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3060 2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3060 2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2979 1.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2979 1.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9687 -0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9687 -0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3757 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3757 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4989 -0.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4989 -0.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2352 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2352 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8281 -1.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8281 -1.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7050 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7050 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1236 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1236 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1981 -0.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1981 -0.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7057 -2.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7057 -2.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2352 -1.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2352 -1.8760 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 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 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA8GS0001 | + | ID FL4DA8GS0001 |
| − | KNApSAcK_ID C00008692 | + | KNApSAcK_ID C00008692 |
| − | NAME 3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside | + | NAME 3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside |
| − | CAS_RN 157072-27-0 | + | CAS_RN 157072-27-0 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES O(C(C3c(c4)c(O)ccc(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(O1)C(O)C(O)C(O)C(C)1 | + | SMILES O(C(C3c(c4)c(O)ccc(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(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
-1.8472 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3263 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8054 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8054 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3263 1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8472 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2845 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2364 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2364 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2845 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2845 -0.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8161 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 2.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8161 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2979 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7046 -0.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3263 -0.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3060 2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2979 1.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3757 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4989 -0.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8281 -1.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7050 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1236 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1981 -0.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 -2.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 -1.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
2 20 1 0 0 0 0
17 21 1 0 0 0 0
14 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
19 24 1 0 0 0 0
28 29 1 0 0 0 0
25 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
S SKP 8
ID FL4DA8GS0001
KNApSAcK_ID C00008692
NAME 3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside
CAS_RN 157072-27-0
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES O(C(C3c(c4)c(O)ccc(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(O1)C(O)C(O)C(O)C(C)1
M END
