Mol:FL5FBENS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2003 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2003 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 -1.7471 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 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 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -6.3693 3.6436 | + | M SBV 1 23 -6.3693 3.6436 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 25 -7.3725 3.1558 | + | M SBV 2 25 -7.3725 3.1558 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FBENS0001 | + | ID FL5FBENS0001 |
| − | KNApSAcK_ID C00004604 | + | KNApSAcK_ID C00004604 |
| − | NAME Quercetin 5,4'-dimethyl ether | + | NAME Quercetin 5,4'-dimethyl ether |
| − | CAS_RN 100648-56-4 | + | CAS_RN 100648-56-4 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(OC)2)c(cc(O)c2)1 | + | SMILES COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(OC)2)c(cc(O)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -1.7471 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -6.3693 3.6436
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SBV 2 25 -7.3725 3.1558
S SKP 8
ID FL5FBENS0001
KNApSAcK_ID C00004604
NAME Quercetin 5,4'-dimethyl ether
CAS_RN 100648-56-4
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(OC)2)c(cc(O)c2)1
M END
