Mol:FL1CA8GS0001
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2976 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2976 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2976 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2976 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5831 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5831 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1314 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1314 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1314 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1314 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5831 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5831 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8458 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8458 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5603 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5603 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5603 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5603 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2748 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2748 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9892 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9892 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7037 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7037 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7037 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7037 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9892 2.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9892 2.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2748 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2748 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8458 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8458 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2680 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2680 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7901 -1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7901 -1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0149 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0149 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2036 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2036 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6815 -1.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6815 -1.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4567 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4567 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6680 -0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6680 -0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7037 -1.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7037 -1.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2611 -1.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2611 -1.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1256 -2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1256 -2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5831 -1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5831 -1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9843 1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9843 1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2512 -0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2512 -0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7026 0.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7026 0.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6393 2.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6393 2.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6516 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6516 0.6665 0.0000 C 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 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 |
| − | 29 23 1 0 0 0 0 | + | 29 23 1 0 0 0 0 |
| − | 5 30 1 0 0 0 0 | + | 5 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 27 20 1 0 0 0 0 | + | 27 20 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA8GS0001 | + | ID FL1CA8GS0001 |
| − | KNApSAcK_ID C00014503 | + | KNApSAcK_ID C00014503 |
| − | NAME Androechin;2,2',6'-Trihydroxy-4'-methoxychalcone 2'-O-glucoside | + | NAME Androechin;2,2',6'-Trihydroxy-4'-methoxychalcone 2'-O-glucoside |
| − | CAS_RN 423775-36-4 | + | CAS_RN 423775-36-4 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES C(C(=O)c(c2OC(C(O)3)OC(CO)C(C3O)O)c(cc(c2)OC)O)=Cc(c1O)cccc1 | + | SMILES C(C(=O)c(c2OC(C(O)3)OC(CO)C(C3O)O)c(cc(c2)OC)O)=Cc(c1O)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.2976 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2976 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5831 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1314 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1314 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5831 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8458 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5603 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5603 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2748 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9892 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7037 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7037 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9892 2.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2748 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8458 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2680 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7901 -1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2036 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6815 -1.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4567 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6680 -0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7037 -1.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2611 -1.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1256 -2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5831 -1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9843 1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2512 -0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7026 0.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6393 2.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6516 0.6665 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
29 23 1 0 0 0 0
5 30 1 0 0 0 0
15 31 1 0 0 0 0
27 20 1 0 0 0 0
28 32 1 0 0 0 0
S SKP 8
ID FL1CA8GS0001
KNApSAcK_ID C00014503
NAME Androechin;2,2',6'-Trihydroxy-4'-methoxychalcone 2'-O-glucoside
CAS_RN 423775-36-4
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES C(C(=O)c(c2OC(C(O)3)OC(CO)C(C3O)O)c(cc(c2)OC)O)=Cc(c1O)cccc1
M END
