Mol:FL3FFGNP0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6655 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4779 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4779 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3358 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3358 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5234 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5234 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5234 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5234 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3358 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3358 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8055 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8055 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 1.2375 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 |
| − | 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 20 6 1 0 0 0 0 | + | 20 6 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 4 24 1 0 0 0 0 | + | 4 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 5 1 0 0 0 0 | + | 27 5 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFGNP0002 | + | ID FL3FFGNP0002 |
| − | KNApSAcK_ID C00013441 | + | KNApSAcK_ID C00013441 |
| − | NAME 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 259814-41-0 | + | CAS_RN 259814-41-0 |
| − | FORMULA C23H22O8 | + | FORMULA C23H22O8 |
| − | EXACTMASS 426.13146768 | + | EXACTMASS 426.13146768 |
| − | AVERAGEMASS 426.41598000000005 | + | AVERAGEMASS 426.41598000000005 |
| − | SMILES C(c(c4)cc(c(c(OC)4)O)OC)(O1)=CC(=O)c(c(O)3)c(c(OC)c(c32)OC(C=C2)(C)C)1 | + | SMILES C(c(c4)cc(c(c(OC)4)O)OC)(O1)=CC(=O)c(c(O)3)c(c(OC)c(c32)OC(C=C2)(C)C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.6655 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3358 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3358 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8055 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 1.2375 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
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
20 6 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
19 23 1 0 0 0 0
4 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 5 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
3 30 1 0 0 0 0
30 31 1 0 0 0 0
S SKP 8
ID FL3FFGNP0002
KNApSAcK_ID C00013441
NAME 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 259814-41-0
FORMULA C23H22O8
EXACTMASS 426.13146768
AVERAGEMASS 426.41598000000005
SMILES C(c(c4)cc(c(c(OC)4)O)OC)(O1)=CC(=O)c(c(O)3)c(c(OC)c(c32)OC(C=C2)(C)C)1
M END
