Mol:FL1CALGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.0372 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0372 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3228 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3228 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6083 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6083 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6083 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6083 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3228 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3228 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1062 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1062 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8206 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8206 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8206 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8206 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5351 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5351 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.2496 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2496 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5351 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5351 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.8916 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8916 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.6385 -2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6385 -2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8272 -2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8272 -2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3052 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3052 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0803 -1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0803 -1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2917 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2917 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3272 -2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3272 -2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8846 -2.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8846 -2.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7490 -2.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7490 -2.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3228 -1.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3228 -1.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7053 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7053 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6453 2.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6453 2.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9248 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9248 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3721 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3721 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0588 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0588 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0588 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0588 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3272 1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3272 1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 13 29 1 0 0 0 0 | + | 13 29 1 0 0 0 0 |
| − | 30 23 1 0 0 0 0 | + | 30 23 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 5 32 1 0 0 0 0 | + | 5 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 15 35 1 0 0 0 0 | + | 15 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CALGS0001 | + | ID FL1CALGS0001 |
| − | KNApSAcK_ID C00014515 | + | KNApSAcK_ID C00014515 |
| − | NAME 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside | + | NAME 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside |
| − | CAS_RN 256413-65-7 | + | CAS_RN 256413-65-7 |
| − | FORMULA C25H30O11 | + | FORMULA C25H30O11 |
| − | EXACTMASS 506.178811802 | + | EXACTMASS 506.178811802 |
| − | AVERAGEMASS 506.4991 | + | AVERAGEMASS 506.4991 |
| − | SMILES c(c3)c(c(OC)cc3OC)C=CC(c(c(OC(C2O)OC(CO)C(O)C2O)1)c(OC)cc(OC)c1)=O | + | SMILES c(c3)c(c(OC)cc3OC)C=CC(c(c(OC(C2O)OC(CO)C(O)C2O)1)c(OC)cc(OC)c1)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-2.0372 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0372 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3228 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6083 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6083 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3228 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1062 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8206 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8206 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5351 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2496 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9640 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9640 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2496 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5351 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1062 -1.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8916 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4136 -2.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6385 -2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8272 -2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3052 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0803 -1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2917 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3272 -2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8846 -2.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7490 -2.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3228 -1.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7053 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6453 2.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9248 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3721 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0588 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0588 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3272 1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8946 1.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8946 2.6988 0.0000 C 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 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
18 25 1 0 0 0 0
19 26 1 0 0 0 0
3 27 1 0 0 0 0
1 28 1 0 0 0 0
13 29 1 0 0 0 0
30 23 1 0 0 0 0
28 31 1 0 0 0 0
5 32 1 0 0 0 0
32 33 1 0 0 0 0
29 34 1 0 0 0 0
15 35 1 0 0 0 0
35 36 1 0 0 0 0
20 27 1 0 0 0 0
S SKP 8
ID FL1CALGS0001
KNApSAcK_ID C00014515
NAME 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
CAS_RN 256413-65-7
FORMULA C25H30O11
EXACTMASS 506.178811802
AVERAGEMASS 506.4991
SMILES c(c3)c(c(OC)cc3OC)C=CC(c(c(OC(C2O)OC(CO)C(O)C2O)1)c(OC)cc(OC)c1)=O
M END
