Mol:FL1C9AGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.7807 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7807 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7807 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7807 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2267 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2267 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6727 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6727 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6727 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6727 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2267 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2267 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1190 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1190 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5665 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5665 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0151 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0151 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4650 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4650 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0734 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0734 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6118 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6118 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6118 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6118 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0734 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0734 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4650 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4650 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1190 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1190 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8536 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8536 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5528 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5528 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1313 0.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1313 0.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7133 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7133 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0142 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0142 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4356 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4356 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2949 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2949 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6738 1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6738 1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5974 0.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5974 0.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 0.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 0.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2267 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2267 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0662 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0662 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7807 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7807 0.0728 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 26 13 1 0 0 0 0 | + | 26 13 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 30 -4.7436 5.2868 | + | M SBV 1 30 -4.7436 5.2868 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C9AGS0001 | + | ID FL1C9AGS0001 |
| − | KNApSAcK_ID C00007183 | + | KNApSAcK_ID C00007183 |
| − | NAME 4,2'-Dihydroxychalcone 4-glucoside | + | NAME 4,2'-Dihydroxychalcone 4-glucoside |
| − | CAS_RN 81793-82-0 | + | CAS_RN 81793-82-0 |
| − | FORMULA C21H22O8 | + | FORMULA C21H22O8 |
| − | EXACTMASS 402.13146768 | + | EXACTMASS 402.13146768 |
| − | AVERAGEMASS 402.39458 | + | AVERAGEMASS 402.39458 |
| − | SMILES C(Oc(c2)ccc(C=CC(=O)c(c(O)3)cccc3)c2)(O1)C(O)C(O)C(O)C1CO | + | SMILES C(Oc(c2)ccc(C=CC(=O)c(c(O)3)cccc3)c2)(O1)C(O)C(O)C(O)C1CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-3.7807 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7807 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2267 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2267 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1190 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5665 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0151 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4650 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0734 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6118 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6118 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0734 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4650 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1190 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8536 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5528 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1313 0.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7133 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0142 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4356 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6738 1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5974 0.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2267 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0662 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7807 0.0728 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
17 23 1 0 0 0 0
22 24 1 0 0 0 0
21 25 1 0 0 0 0
18 26 1 0 0 0 0
26 13 1 0 0 0 0
3 27 1 0 0 0 0
20 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 30
M SMT 1 CH2OH
M SBV 1 30 -4.7436 5.2868
S SKP 8
ID FL1C9AGS0001
KNApSAcK_ID C00007183
NAME 4,2'-Dihydroxychalcone 4-glucoside
CAS_RN 81793-82-0
FORMULA C21H22O8
EXACTMASS 402.13146768
AVERAGEMASS 402.39458
SMILES C(Oc(c2)ccc(C=CC(=O)c(c(O)3)cccc3)c2)(O1)C(O)C(O)C(O)C1CO
M END
