Mol:FL3F98NS0016
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1653 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1653 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1653 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1653 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8798 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8798 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5942 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5942 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5942 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5942 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8798 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8798 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4508 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4508 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2637 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2637 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2636 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2636 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4508 0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4508 0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9781 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9781 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6926 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6926 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4070 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4070 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4070 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4070 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6925 1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6925 1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9781 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9781 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4508 -2.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4508 -2.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1215 -0.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1215 -0.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2156 -1.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2156 -1.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8798 -2.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8798 -2.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8360 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8360 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6925 2.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6925 2.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1817 2.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1817 2.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8360 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8360 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3344 -2.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3344 -2.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6926 -0.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6926 -0.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2689 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2689 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4303 1.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4303 1.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1163 1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1163 1.0621 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F98NS0016 | + | ID FL3F98NS0016 |
| − | KNApSAcK_ID C00013342 | + | KNApSAcK_ID C00013342 |
| − | NAME 5,6,2',3',5',6'-Hexamethoxyflavone;5,6-Dimethoxy-2-(2,3,5,6-tetramethoxyphenyl)-4H-1-benzopyran-4-one | + | NAME 5,6,2',3',5',6'-Hexamethoxyflavone;5,6-Dimethoxy-2-(2,3,5,6-tetramethoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 851383-32-9 | + | CAS_RN 851383-32-9 |
| − | FORMULA C21H22O8 | + | FORMULA C21H22O8 |
| − | EXACTMASS 402.13146768 | + | EXACTMASS 402.13146768 |
| − | AVERAGEMASS 402.39458 | + | AVERAGEMASS 402.39458 |
| − | SMILES COc(c3)c(c(c(c3OC)OC)C(=C2)Oc(c1)c(C(=O)2)c(c(c1)OC)OC)OC | + | SMILES COc(c3)c(c(c(c3OC)OC)C(=C2)Oc(c1)c(C(=O)2)c(c(c1)OC)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.1653 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1653 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8798 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5942 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5942 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8798 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4508 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2637 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2636 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4508 0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9781 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4070 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4070 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6925 1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9781 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4508 -2.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2156 -1.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8798 -2.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8360 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6925 2.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1817 2.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8360 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3344 -2.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 -0.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2689 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4303 1.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 1.0621 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
13 18 1 0 0 0 0
5 19 1 0 0 0 0
6 20 1 0 0 0 0
19 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
18 24 1 0 0 0 0
20 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL3F98NS0016
KNApSAcK_ID C00013342
NAME 5,6,2',3',5',6'-Hexamethoxyflavone;5,6-Dimethoxy-2-(2,3,5,6-tetramethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 851383-32-9
FORMULA C21H22O8
EXACTMASS 402.13146768
AVERAGEMASS 402.39458
SMILES COc(c3)c(c(c(c3OC)OC)C(=C2)Oc(c1)c(C(=O)2)c(c(c1)OC)OC)OC
M END
