Mol:FL5FECNS0027
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 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 |
| − | -2.8763 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 -1.1739 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 |
| − | -2.2003 -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 |
| − | -2.6775 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6775 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1776 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1776 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7710 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7710 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6370 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6370 -1.8529 0.0000 C 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 |
| − | 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 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 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 2.1618 1.0925 | + | M SVB 4 28 2.1618 1.0925 |
| − | 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 -1.0591 | + | M SVB 3 26 0.1038 -1.0591 |
| − | 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 -2.6775 0.4082 | + | M SVB 2 24 -2.6775 0.4082 |
| − | 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 -2.2003 -1.3346 | + | M SVB 1 22 -2.2003 -1.3346 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0027 | + | ID FL5FECNS0027 |
| − | KNApSAcK_ID C00004703 | + | KNApSAcK_ID C00004703 |
| − | NAME Quercetagetin 3,5,7,4'-tetramethyl ether | + | NAME Quercetagetin 3,5,7,4'-tetramethyl ether |
| − | CAS_RN 154662-04-1 | + | CAS_RN 154662-04-1 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(O)c(OC)c2)OC)=O | + | SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(O)c(OC)c2)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 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
-2.8763 -1.1739 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
-2.2003 -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
-2.6775 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1776 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6370 -1.8529 0.0000 C 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
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
2 18 1 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
1 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
15 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 2.1618 1.0925
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 -1.0591
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 -2.6775 0.4082
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 -2.2003 -1.3346
S SKP 8
ID FL5FECNS0027
KNApSAcK_ID C00004703
NAME Quercetagetin 3,5,7,4'-tetramethyl ether
CAS_RN 154662-04-1
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(O)c(OC)c2)OC)=O
M END
