Mol:FL5FA9GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2393 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2393 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2393 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2393 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6830 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6830 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1267 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1267 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1267 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1267 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6830 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6830 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5704 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5704 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0141 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0141 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0141 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0141 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5704 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5704 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5704 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5704 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5420 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5420 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1090 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1090 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6760 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6760 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6760 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6760 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1090 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1090 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5420 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5420 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7165 -0.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7165 -0.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7954 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7954 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6830 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6830 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7463 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7463 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3745 -1.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3745 -1.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1752 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1752 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3745 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3745 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7463 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7463 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9456 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9456 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7159 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7159 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9076 -1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9076 -1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2229 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2229 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7954 -1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7954 -1.3247 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 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9GS0001 | + | ID FL5FA9GS0001 |
| − | KNApSAcK_ID C00005121 | + | KNApSAcK_ID C00005121 |
| − | NAME Galangin 3-rhamnoside | + | NAME Galangin 3-rhamnoside |
| − | CAS_RN 72463-31-1 | + | CAS_RN 72463-31-1 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)cccc2)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)cccc2)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.2393 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2393 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1267 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1267 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5704 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0141 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0141 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5704 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5704 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1090 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6760 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6760 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1090 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7165 -0.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7954 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7463 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3745 -1.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1752 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3745 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7463 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9456 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7159 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9076 -1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2229 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7954 -1.3247 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
18 8 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 8
ID FL5FA9GS0001
KNApSAcK_ID C00005121
NAME Galangin 3-rhamnoside
CAS_RN 72463-31-1
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)cccc2)OC(O1)C(O)C(O)C(O)C(C)1
M END
