Mol:FL3FF9GS0009
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 |
| − | -0.5354 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5354 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5354 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5354 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1791 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1791 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8936 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8936 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8936 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8936 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1791 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1791 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6080 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6080 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3225 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3225 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3225 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3225 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6080 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6080 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0370 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0370 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7514 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7514 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4659 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4659 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4659 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4659 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7514 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7514 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0370 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0370 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6080 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6080 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1791 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1791 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2499 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2499 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1791 1.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1791 1.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0132 0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0132 0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6006 -0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6006 -0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8022 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8022 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0087 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0087 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4213 0.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4213 0.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2197 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2197 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3880 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3880 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8681 1.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8681 1.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3608 0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3608 0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4659 0.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4659 0.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6325 -0.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6325 -0.5086 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 |
| − | 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9GS0009 | + | ID FL3FF9GS0009 |
| − | KNApSAcK_ID C00013602 | + | KNApSAcK_ID C00013602 |
| − | NAME 5,7,8-Trihydroxyflavone 7-galactoside | + | NAME 5,7,8-Trihydroxyflavone 7-galactoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cccc3)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cccc3)(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
-0.5354 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5354 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1791 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1791 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6080 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3225 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3225 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6080 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0370 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7514 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4659 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4659 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7514 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0370 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6080 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1791 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2499 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1791 1.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0132 0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6006 -0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8022 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0087 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4213 0.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2197 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3880 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8681 1.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3608 0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4659 0.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6325 -0.5086 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
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
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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 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 19 1 0 0 0 0
S SKP 8
ID FL3FF9GS0009
KNApSAcK_ID C00013602
NAME 5,7,8-Trihydroxyflavone 7-galactoside
CAS_RN -
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cccc3)(O)C(O)C(O)C(O1)CO
M END
