Mol:FL1CBBNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1252 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1252 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4107 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4107 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6962 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6962 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4107 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4107 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8397 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8397 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9818 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9818 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2673 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2673 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4472 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4472 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4472 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4472 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1616 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1616 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8761 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8761 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5906 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5906 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5906 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5906 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8761 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8761 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1616 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1616 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8761 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8761 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6412 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6412 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4472 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4472 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3050 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3050 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0195 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0195 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0195 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0195 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3050 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3050 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0825 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0825 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6412 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6412 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6339 0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6339 0.6604 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 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 |
| − | 10 12 1 0 0 0 0 | + | 10 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 7 19 1 0 0 0 0 | + | 7 19 1 0 0 0 0 |
| − | 20 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 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 15 1 0 0 0 0 | + | 24 15 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CBBNP0001 | + | ID FL1CBBNP0001 |
| − | KNApSAcK_ID C00014480 | + | KNApSAcK_ID C00014480 |
| − | NAME Glychalcone A;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-4,6'-dimethoxychalcone | + | NAME Glychalcone A;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-4,6'-dimethoxychalcone |
| − | CAS_RN 143885-75-0 | + | CAS_RN 143885-75-0 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES C(O1)(C=Cc(c2O)c1cc(OC)c(C(=O)C=Cc(c3)ccc(c3)OC)2)(C)C | + | SMILES C(O1)(C=Cc(c2O)c1cc(OC)c(C(=O)C=Cc(c3)ccc(c3)OC)2)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-3.1252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1252 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4107 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6962 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4107 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8397 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9818 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2673 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6412 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3050 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0195 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0195 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3050 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0825 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6412 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6339 0.6604 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
1 7 1 0 0 0 0
4 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
10 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
13 18 1 0 0 0 0
7 19 1 0 0 0 0
20 17 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 15 1 0 0 0 0
20 25 1 0 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
S SKP 8
ID FL1CBBNP0001
KNApSAcK_ID C00014480
NAME Glychalcone A;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-4,6'-dimethoxychalcone
CAS_RN 143885-75-0
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES C(O1)(C=Cc(c2O)c1cc(OC)c(C(=O)C=Cc(c3)ccc(c3)OC)2)(C)C
M END
