Mol:FL3FF9NS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7790 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -1.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -1.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1362 0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6361 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.1362 0.7702 | + | M SVB 1 22 -2.1362 0.7702 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9NS0007 | + | ID FL3FF9NS0007 |
| − | KNApSAcK_ID C00004070 | + | KNApSAcK_ID C00004070 |
| − | NAME 5,8-Dihydroxy-7-methoxyflavone | + | NAME 5,8-Dihydroxy-7-methoxyflavone |
| − | CAS_RN 4431-47-4 | + | CAS_RN 4431-47-4 |
| − | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
| − | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
| − | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
| − | SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C=C(c(c2)cccc2)1 | + | SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C=C(c(c2)cccc2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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
18 3 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.1362 0.7702
S SKP 8
ID FL3FF9NS0007
KNApSAcK_ID C00004070
NAME 5,8-Dihydroxy-7-methoxyflavone
CAS_RN 4431-47-4
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C=C(c(c2)cccc2)1
M END
