Mol:FL5FDFNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5950 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5950 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3115 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3115 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7529 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7529 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7710 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7710 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 -1.7790 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.1038 -0.9854 | + | M SVB 3 26 0.1038 -0.9854 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 1.3115 1.7424 | + | M SVB 2 24 1.3115 1.7424 |
| − | 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 2.1618 1.1662 | + | M SVB 1 22 2.1618 1.1662 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDFNS0001 | + | ID FL5FDFNS0001 |
| − | KNApSAcK_ID C00004648 | + | KNApSAcK_ID C00004648 |
| − | NAME Quercetin 3,3',4'-trimethyl ether;5,7-Dihydroxy-3,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one | + | NAME Quercetin 3,3',4'-trimethyl ether;5,7-Dihydroxy-3,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 14549-84-9 | + | CAS_RN 14549-84-9 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(OC)c(OC)c3)=C(C2=O)OC)1 | + | SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(OC)c(OC)c3)=C(C2=O)OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5950 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7529 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -1.7790 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.1038 -0.9854
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.3115 1.7424
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 2.1618 1.1662
S SKP 8
ID FL5FDFNS0001
KNApSAcK_ID C00004648
NAME Quercetin 3,3',4'-trimethyl ether;5,7-Dihydroxy-3,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one
CAS_RN 14549-84-9
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(OC)c(OC)c3)=C(C2=O)OC)1
M END
