Mol:FL5F3LNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7143 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7143 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7143 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7143 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4288 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4288 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1433 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1433 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1433 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1433 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4288 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4288 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0001 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0001 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7146 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7146 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0001 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0001 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8578 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8578 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1433 1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1433 1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4288 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4288 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0001 -2.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0001 -2.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8578 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8578 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4291 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4291 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5723 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5723 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1433 2.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1433 2.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4288 2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4288 2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4291 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4291 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4288 0.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4288 0.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7144 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7144 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5723 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5723 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -1.6498 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F3LNS0001 | + | ID FL5F3LNS0001 |
| − | KNApSAcK_ID C00013375 | + | KNApSAcK_ID C00013375 |
| − | NAME 2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone;2-(2-Hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one | + | NAME 2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone;2-(2-Hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 178275-88-2 | + | CAS_RN 178275-88-2 |
| − | FORMULA C20H20O8 | + | FORMULA C20H20O8 |
| − | EXACTMASS 388.11581761599996 | + | EXACTMASS 388.11581761599996 |
| − | AVERAGEMASS 388.368 | + | AVERAGEMASS 388.368 |
| − | SMILES COc(c1)c(C(O2)=C(C(=O)c(c3)c2c(c(c3)OC)OC)OC)cc(c(O)1)OC | + | SMILES COc(c1)c(C(O2)=C(C(=O)c(c3)c2c(c(c3)OC)OC)OC)cc(c(O)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-0.7143 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7143 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4288 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1433 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1433 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4288 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0001 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7146 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0001 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1433 1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4288 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0001 -2.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8578 -0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4291 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5723 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1433 2.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4288 2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4291 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4288 0.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7144 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5723 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.6498 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
4 18 1 0 0 0 0
8 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
12 22 1 0 0 0 0
21 23 1 0 0 0 0
19 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
18 27 1 0 0 0 0
22 28 1 0 0 0 0
S SKP 8
ID FL5F3LNS0001
KNApSAcK_ID C00013375
NAME 2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone;2-(2-Hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 178275-88-2
FORMULA C20H20O8
EXACTMASS 388.11581761599996
AVERAGEMASS 388.368
SMILES COc(c1)c(C(O2)=C(C(=O)c(c3)c2c(c(c3)OC)OC)OC)cc(c(O)1)OC
M END
