Mol:FL5FAAGA0001
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 |
| − | -2.0934 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0934 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0934 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0934 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5371 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5371 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9808 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9808 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9808 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9808 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5371 1.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5371 1.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4245 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4245 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1318 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1318 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1318 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1318 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4245 1.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4245 1.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4245 -0.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4245 -0.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6879 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6879 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2549 1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2549 1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8219 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8219 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8219 1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8219 1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2549 2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2549 2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6879 1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6879 1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5371 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5371 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6495 1.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6495 1.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3887 2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3887 2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1910 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1910 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8192 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8192 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6199 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6199 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8192 -0.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8192 -0.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1910 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1910 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3903 -0.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3903 -0.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5638 -0.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5638 -0.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8192 0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8192 0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0818 -1.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0818 -1.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6495 -1.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6495 -1.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2751 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2751 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4782 -2.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4782 -2.1057 0.0000 O 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 |
| − | 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 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 -5.1195 3.0439 | + | M SBV 1 34 -5.1195 3.0439 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGA0001 | + | ID FL5FAAGA0001 |
| − | KNApSAcK_ID C00005136 | + | KNApSAcK_ID C00005136 |
| − | NAME Kaempferol 3-alpha-D-galactoside | + | NAME Kaempferol 3-alpha-D-galactoside |
| − | CAS_RN 107163-34-8 | + | CAS_RN 107163-34-8 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O |
M END | M END | ||
| − | |||
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
-2.0934 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0934 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5371 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9808 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9808 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5371 1.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4245 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1318 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1318 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4245 1.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4245 -0.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6879 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6879 1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5371 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6495 1.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3887 2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1910 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8192 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6199 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8192 -0.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1910 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3903 -0.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5638 -0.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8192 0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0818 -1.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6495 -1.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2751 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 -2.1057 0.0000 O 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 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
25 27 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
8 27 1 0 0 0 0
21 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -5.1195 3.0439
S SKP 8
ID FL5FAAGA0001
KNApSAcK_ID C00005136
NAME Kaempferol 3-alpha-D-galactoside
CAS_RN 107163-34-8
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O
M END
